Hexitol
PubChem CID: 453
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| Compound Synonyms | Hexitol, hexane-1,2,3,4,5,6-hexol, hexane-1,2,3,4,5,6-hexaol, 87-78-5, D-Glucitol-2-13C, DL-Mannitol, Hexahydric alcohol, D-Glucitol-2-d, SORBITOL, (D), Karion, Hexahydroxyhexane, NSC1944, NSC9256, NSC25944, 1,2,3,4,5,6-Hexanehexol, D-Sorbitol-1-13C, D-Sorbitol-UL-14C, Fibrinogen fraction 1(from bovine plasma), Resulax, Sorbilax, Sorbitur, Sorbit DP, Sorbitol, D-Glucitol, Liponic 70-NC, 115918-59-7, C6H14O6, 287100-69-0, Cystosol, Dulcitol, Melampyrit, NSC 1944, a hexitol, Karion, instant, NSC407017, Sorbit D, D,L-mannitol, D,L-sorbitol, D,L-talitol, NSC-227898, D,L-iditol, NCGC00159410-03, NCGC00159410-04, 121067-66-1, Mannitol (VAN8C, D(-)-Mannitol, component of Probilagol, Xylitol EP Impurity C, Probilagol (Salt/Mix), DULCITOL DIFORMAL, Syn M.D., MANNITOL, (D), SCHEMBL764, WLN: Q1YQYQYQYQ1Q, NCIOpen2_007793, 1,3,4,5,6-Hexanehexol, MLS006011893, SCHEMBL7559219, D-1,3,4,5,6-Hexanehexol, CHEBI:125392, HMS3373E11, HMS3651B03, HMS3656I13, ALBB-022456, MLA10073, NBA11622, NSC-9256, WLN: Q1YQYQ 2 -BBAA -D, NSC127939, NSC227898, STL139313, AKOS005716939, MD07322, MM06723, MT00743, NSC-127939, SB44866, SB44873, SB45133, SB46997, SB84234, NCGC00159410-05, NCGC00159410-06, NCGC00159410-07, DA-62952, LS-13225, SMR001550234, SY012893, DB-051581, DB-053727, CS-0452692, NS00008496, D86697, EN300-138618, BRD-A35258977-001-01-7, Q27215890, 1AC83243-270A-43FC-AD8D-8C56B1631B19, Sorbitol, LINIMENT 60%, Mannitol, Liniment, D-Mannitol, D-Sorbitol, Dulcitol, 78512-81-9 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 12.0 |
| Description | Permitted bulk sweetener for foods. Sweetening agent. Food additive, used as anticaking agent, lubricant, for stabiliser and thickener, and for other uses in food processing A diuretic and renal diagnostic aid related to sorbitol. It has little significant energy value as it is largely eliminated from the body before any metabolism can take place. It can be used to treat oliguria associated with kidney failure or other manifestations of inadequate renal function and has been used for determination of glomerular filtration rate. Mannitol is also commonly used as a research tool in cell biological studies, usually to control osmolarity., Chemically, mannitol is an alcohol and a sugar, or a polyol, Mannitol is a non-permeating molecule i.e. it cannot cross biological membranes., Mannitol is a sugar alcohol, that is, it is derived from a sugar by reduction. Other sugar alcohols include xylitol and sorbitol. Aqueous solutions of mannitol are mildly acidic and sometimes such solutions are treated to raise the pH. Chemical Abstracts Registry Numbers for mannitol are 123897-58-5, 69-65-8 (D-Mannitol), 75398-80-0, 85085-15-0, and 87-78-5 (mannitol with unspecified stereochemistry)., Mannitol is an organic compound with the formula (C6H8(OH)6). This polyol is used as an osmotic diuretic agent and a weak renal vasodilator. It was originally isolated from the secretions of the flowering ash, called manna after their resemblance to the Biblical food, and is also be referred to as mannite and manna sugar., Mannitol or hexan-1,2,3,4,5,6-hexol (C6H8(OH)6) is an osmotic diuretic agent and a weak renal vasodilator. It is a sorbitol isomer., it is similar to xylitol or sorbitol. However, mannitol has a tendency to lose a hydrogen ion in aqueous solutions, which causes the solution to become acidic. For this, it is not uncommon to add a substance to adjust its pH, such as sodium bicarbonate. D-Mannitol is found in many foods, some of which are agave, tronchuda cabbage, lupine, and apricot. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, n.a., P27695 |
| Iupac Name | hexane-1,2,3,4,5,6-hexol |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Target Id | NPT483 |
| Xlogp | -3.1 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar alcohols |
| Molecular Formula | C6H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBPFZTCFMRRESA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.01 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -2.328 |
| Synonyms | (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol, (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexol, 1,2,3,4,5,6-Hexanehexol, Cordycepate, Cordycepic acid, CPD without stereochemical designation, D-(-)-mannitol, D-mannite, Diosmol, DL-mannitol, e 421, e-421, E421, Hexahydroxyhexane, Hexanhexol, Invenex, Isotol, Manicol, Manita, Maniton s, Maniton-S, Manna sugar, Mannazucker, Mannazucker (german), Mannidex, Mannigen, Mannistol, Mannit, Mannit p, Mannite, Mannitol, Mannitol (van), Mannitol [usan], MANNITOL 10%, MANNITOL 10% IN PLASTIC CONTAINER, MANNITOL 10% W/ DEXTROSE 5% IN DISTILLED WATER, MANNITOL 15%, MANNITOL 15% IN PLASTIC CONTAINER, MANNITOL 15% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.45%, MANNITOL 20%, MANNITOL 20% IN PLASTIC CONTAINER, MANNITOL 25%, MANNITOL 5%, MANNITOL 5% IN PLASTIC CONTAINER, MANNITOL 5% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.12%, Mannogem 2080, Marine crystal, MTL, Osmitrol, OSMITROL 10% IN WATER, OSMITROL 10% IN WATER IN PLASTIC CONTAINER, OSMITROL 15% IN WATER, OSMITROL 15% IN WATER IN PLASTIC CONTAINER, OSMITROL 20% IN WATER, OSMITROL 20% IN WATER IN PLASTIC CONTAINER, OSMITROL 5% IN WATER, OSMITROL 5% IN WATER IN PLASTIC CONTAINER, Osmofundin, Osmosal, Resectisol, Resectisol in plastic container, SDM No. 35, Sorbitol-mannitol, Sorbitol-mannitol in plastic container |
| Substituent Name | Sugar alcohol, Secondary alcohol, Polyol, 1,2-diol, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic acyclic compound |
| Compound Name | Hexitol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3135336000000002 |
| Inchi | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 |
| Smiles | C(C(C(C(C(CO)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Clerodendron Serratum (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cocos Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Fraxinus Ornus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:fooddb_chem_all - 17. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 18. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Lactuca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 20. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 21. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all - 23. Outgoing r'ship
FOUND_INto/from Orobanche Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Orobanche Pycnostachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:fooddb_chem_all - 26. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 28. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:fooddb_chem_all - 31. Outgoing r'ship
FOUND_INto/from Selaginella Pulvinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Selaginella Tamariscina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Sonchus Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Sorbus Aucuparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all - 36. Outgoing r'ship
FOUND_INto/from Veronicastrum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all