Basic information
- Standard SMILES
O=C(O)c1cc2ccc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2oc1=O- InChIKey
VZWPGFGQWPEXHS-HTOAHKCRSA-N- Molecular formula
- C16H16O9
- Average molar mass
- 352.29 g/mol
Names & identifiers
- Preferred name
- 7-beta-Galactosylcoumarin-3-carboxylic acid
- IUPAC
- 2-oxo-7-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromene-3-carboxylic acid
Names & synonyms
SCHEMBL9780331VZWPGFGQWPEXHS-HTOAHKCRSA-N7-beta-galactosylcoumarin-3-carboxylic acid7-beta-Galactosyl-coumarin-3-carboxylic acid
Database identifiers
- PubChem CID
- 22809744
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 574
Related reactions
15 records
Compound notes
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