3-(2-carboxyethyl)phenyl beta-D-glucopyranosiduronic acid
Basic information
- CAS
86321-27-9- Standard SMILES
O=C(O)CCc1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1- InChIKey
YFLHDBYZUJBQGB-DKBOKBLXSA-N- Molecular formula
- C15H18O9
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.09508215
Names & identifiers
- Preferred name
- 3-(2-carboxyethyl)phenyl beta-D-glucopyranosiduronic acid
- IUPAC
- (2S,3S,4S,5R,6S)-6-[3-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
3-(2-carboxyethyl)phenyl beta-D-glucopyranosiduronic acid86321-27-9DTXSID2010067063-Hydroxyphenylpropionic acid glucuronide3-(2-Carboxyethyl)phenyl hexopyranosiduronic acid
Database identifiers
- CAS
86321-27-9- PubChem CID
- 187486
- DTXSID
DTXSID201006706
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…