Basic information
- Standard SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(-c2c(C)noc2C)ccc1Cl- InChIKey
BVAUKCFJVSCXOA-FVTFTPSCSA-N- Molecular formula
- C22H24ClNO8S
- Average molar mass
- 497.9 g/mol
- Monoisotopic mass
- 497.0911156
Names & identifiers
- Preferred name
- 2-Chloro-5-(3,5-dimethyl-4-isoxazolyl)phenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside
- IUPAC
- [(3S,4S,5R,6R)-4,5-diacetyloxy-6-[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]thian-3-yl] acetate
Names & synonyms
SCHEMBL2409475BVAUKCFJVSCXOA-FVTFTPSCSA-N2-Chloro-5-(3,5-dimethyl-4-isoxazolyl)phenyl 2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranoside
Database identifiers
- PubChem CID
- 67396386
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 727
Related reactions
1 records
Compound notes
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