Basic information
- CAS
1456546-88-5- Standard SMILES
CCOC(=O)c1cc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1- InChIKey
ZHTVVEZJLVVZOT-YGMDGNCASA-N- Molecular formula
- C15H18O11
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.08491139
Names & identifiers
- Preferred name
- Ethyl gallate 4-glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-6-(4-ethoxycarbonyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
Ethyl gallate 4-glucuronide
Database identifiers
- CAS
1456546-88-5- PubChem CID
- 156908321
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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