2,6-Bis(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID: 548228
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| Compound Synonyms | d-Gluco-heptulosan, Hept-2-ulopyranose #, 2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol, CHEBI:168038, HAIWUXASLYEWLM-UHFFFAOYSA-N, NS00043498 |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Description | Occurs in Persea gratissima (avocado) and Medicago sativa (alfalfa). D-Manno-2-heptulose is found in many foods, some of which are fruits, cereals and cereal products, avocado, and opium poppy. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Nih Violation | False |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.9 |
| Superclass | Organooxygen compounds |
| Is Pains | False |
| Subclass | Glycosyl compounds |
| Molecular Formula | C7H14O7 |
| Inchi Key | HAIWUXASLYEWLM-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (+)-Mannoheptulose, D-Manno-2-heptulose, D-Manno-heptulose, D-Mannoheptulose, D-Mannoketoheptose |
| Substituent Name | C-glycosyl compound, Oxane, Monosaccharide, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | 2,6-Bis(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Kingdom | Organic compounds |
| Exact Mass | 210.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 210.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2 |
| Smiles | C(C1C(C(C(C(O1)(CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all