Basic information
- Standard SMILES
COc1ccc([C@@H](Sc2ccccc2[N+](=O)[O-])[C@H](O)C(=O)O)cc1- InChIKey
MAZQSTHKJABVOC-LSDHHAIUSA-N- Molecular formula
- C16H15NO6S
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionic acid
- IUPAC
- (2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanylpropanoic acid
Names & synonyms
SCHEMBL5150786MAZQSTHKJABVOC-LSDHHAIUSA-N(2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionic acid(2R,3R)-2-hydroxy-3-(4-methoxy-phenyl)-3-(2-nitrophenylthio)propionic acid
Database identifiers
- PubChem CID
- 13191817
- Nikkaji
- J1.344.037I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
3 records
Compound notes
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