L-Iditol
PubChem CID: 5460044
Connections displayed (default: 10).
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| Compound Synonyms | L-Iditol, 488-45-9, Iditol, (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, MFCD00064289, Hexahydroxyhexane, 1Q2H9GC12E, (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexaol, Karion, Hexahydric alcohol, L-Idit, IDITOL, L-, L-Iditol, >=98%, UNII-1Q2H9GC12E, SCHEMBL435775, CHEBI:18202, DTXSID901337629, AKOS024258141, MI04750, AS-56025, HY-121654, CS-0082969, I0725, C01507, D91196, Q27102896 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 12.0 |
| Description | Occurs with D-glucitol in the berry of mountain ash (Sorbus aucuparia) and in other plants [CCD]. L-Iditol is found in many foods, some of which are blackcurrant, sweet bay, agar, and bayberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | Q00796 |
| Iupac Name | (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -3.1 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar alcohols |
| Molecular Formula | C6H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBPFZTCFMRRESA-UNTFVMJOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.094 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -2.478 |
| Synonyms | (2S,3R,4R,5S)-Hexane-1,2,3,4,5,6-hexol, Galactitol, Hexahydric alcohol, ido-L-Hexitol, Iso-sorbide, L-Idit, L-Sorbieritol, Meglumine, Mitobronitol, Cordycepic acid, D-Dulcitol, D-Galactitol, Dulcite, Dulcitol, Dulcose, Glucitol, Hexahydroxyhexane, Hexitol, Isotol, Karion, L-Gulitol, Manna sugar, Mannit, Mannite, Sionit, Sionon, Siosan, Sorbo, Sorbol, Iditol |
| Substituent Name | Sugar alcohol, Secondary alcohol, Polyol, 1,2-diol, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic acyclic compound |
| Compound Name | L-Iditol |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 1.3135336000000002 |
| Inchi | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1 |
| Smiles | C([C@@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sugar alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Adenanthera Pavonina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brandisia Hancei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cassytha Filiformis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cistanche Tubulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Cocos Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Euonymus Atropurpureus (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Euonymus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Euonymus Maackii (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Gaillardia Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Maytenus Hookeri (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Sorbus Aucuparia (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Tripterygium Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Veronica Persica (Plant) Rel Props:Source_db:cmaup_ingredients