beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl
Basic information
- CAS
95480-61-8- Standard SMILES
C=CCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1- InChIKey
MQXZRKSWEMEXCG-JHZZJYKESA-N- Molecular formula
- C16H20O8
- Average molar mass
- 340.32 g/mol
- Monoisotopic mass
- 340.11581759
Names & identifiers
- Preferred name
- beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenyl
- IUPAC
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-2-carboxylic acid
Names & synonyms
Eugenol-glucuronide95480-61-8beta-D-Glucopyranosiduronic acid, 2-methoxy-4-(2-propen-1-yl)phenylSCHEMBL16325180DTXSID20914973(2S,3S,4S,5R,6S)-6-(4-Allyl-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid2-Methoxy-4-(prop-2-en-1-yl)phenyl hexopyranosiduronic acid2-methoxy-4-(prop-2-en-1-yl)phenyl beta-D-glucopyranosiduronic acid
Database identifiers
- CAS
95480-61-8- PubChem CID
- 180633
- DTXSID
DTXSID20914973
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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