Basic information
- Standard SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2cccc([N+](=O)[O-])c2)SC[C@H]1OC(C)=O- InChIKey
OXANZUSZYGXDHB-TWMKSMIVSA-N- Molecular formula
- C17H19NO8S2
- Average molar mass
- 429.5 g/mol
Names & identifiers
- Preferred name
- 3-nitrophenyl 2,3,4-tri-O-acetyl-1,5-dithio-beta-D-xylopyranoside
- IUPAC
- [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(3-nitrophenyl)sulfanylthian-3-yl] acetate
Names & synonyms
SCHEMBL9351764OXANZUSZYGXDHB-TWMKSMIVSA-N3-nitrophenyl 2,3,4-tri-O-acetyl-1,5-dithio-beta-D-xylopyranoside
Database identifiers
- PubChem CID
- 14795355
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Related reactions
2 records
Compound notes
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