Coriose
PubChem CID: 192877
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| Compound Synonyms | Coriose, D-Altro-3-heptulose, 13059-96-6, (2R,4R,5R,6R)-1,2,4,5,6,7-hexahydroxyheptan-3-one, Crocose, Hept-3-ulose, SCHEMBL605397, DTXSID10926808, CHEBI:195941, C19612 |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Description | Crocose, also known as D-altro-3-heptulose, is a member of the class of compounds known as heptoses. Heptoses are monosaccharides in which the sugar unit is a seven-carbon containing moeity. Crocose is soluble (in water) and a very weakly acidic compound (based on its pKa). Crocose can be found in saffron, which makes crocose a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,4R,5R,6R)-1,2,4,5,6,7-hexahydroxyheptan-3-one |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | -3.9 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C7H14O7 |
| Inchi Key | INYHXAFWZQXELF-FNKGTGPASA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | D-Altro-3-heptulose |
| Compound Name | Coriose |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2/t3-,4-,5-,7-/m1/s1 |
| Smiles | C([C@H]([C@H]([C@H](C(=O)[C@@H](CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Heptoses |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all