beta-D-Glucopyranosiduronic acid, 4-amino-2-methoxyphenyl
Basic information
- CAS
96107-44-7- Standard SMILES
COc1cc(N)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
AEQLXENHGOOUBS-XPORZQOISA-N- Molecular formula
- C13H17NO8
- Average molar mass
- 315.28 g/mol
- Monoisotopic mass
- 315.0954165
Names & identifiers
- Preferred name
- beta-D-Glucopyranosiduronic acid, 4-amino-2-methoxyphenyl
- IUPAC
- (2S,3S,4S,5R,6S)-6-(4-amino-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
beta-D-Glucopyranosiduronic acid, 4-amino-2-methoxyphenyl96107-44-7DTXSID402421244-Amino-2-methoxyphenyl beta-D-glucopyranosiduronic acid
Database identifiers
- CAS
96107-44-7- PubChem CID
- 178805
- DTXSID
DTXSID40242124
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
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Related reactions
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Compound notes
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