Basic information
- Standard SMILES
CC(=O)Nc1ccc(O[C@@H]2SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1- InChIKey
GCFQFWVUUFGLKF-FCGDIQPGSA-N- Molecular formula
- C19H23NO8S
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- 4-acetamidophenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside
- IUPAC
- [(3S,4S,5R,6R)-6-(4-acetamidophenoxy)-4,5-diacetyloxythian-3-yl] acetate
Names & synonyms
SCHEMBL9351728GCFQFWVUUFGLKF-FCGDIQPGSA-N4-acetamidophenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside
Database identifiers
- PubChem CID
- 15067862
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 619
Related reactions
4 records
Compound notes
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