Basic information
- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](OCCSc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
YONKUQJFWNPMBC-CDJZJNNCSA-N- Molecular formula
- C22H27NO12S
- Average molar mass
- 529.5 g/mol
Names & identifiers
- Preferred name
- 2-(p-Nitrophenylthio)ethyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside
- IUPAC
- [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-(4-nitrophenyl)sulfanylethoxy]oxan-2-yl]methyl acetate
Names & synonyms
SCHEMBL10601491YONKUQJFWNPMBC-CDJZJNNCSA-N2-(p-Nitrophenylthio)ethyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside
Database identifiers
- PubChem CID
- 54519136
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 794
Related reactions
1 records
Compound notes
Loading…