Basic information
- Standard SMILES
CCOC(=O)c1cc2ccc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2oc1=O- InChIKey
KWCKYRAVPBDHJQ-CWVYHPPDSA-N- Molecular formula
- C18H20O9
- Average molar mass
- 380.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-beta-galactosylcoumarin-3-carboxylate
- IUPAC
- ethyl 2-oxo-7-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromene-3-carboxylate
Names & synonyms
SCHEMBL11019138KWCKYRAVPBDHJQ-CWVYHPPDSA-Nethyl 7-beta-galactosylcoumarin-3-carboxylate
Database identifiers
- PubChem CID
- 22809745
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 604
Related reactions
9 records
Compound notes
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