Basic information
- CAS
7265-01-2- Standard SMILES
Nc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
WDFZMOBYISXVSY-RMPHRYRLSA-N- Molecular formula
- C12H17NO6
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.10558726
Names & identifiers
- Preferred name
- 2-Aminophenyl beta-D-glucopyranoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
2-Aminophenyl beta-D-glucopyranosideSCHEMBL164245o-Aminophenyl beta-D-glucopyranosidebeta-D-Glucopyranoside, 2-aminophenylNSC 408139Glucopyranoside, o-aminophenyl, beta-D-
Database identifiers
- CAS
7265-01-2- PubChem CID
- 81685
- Nikkaji
- J1.410.480A
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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