[3,4,5-Triacetyloxy-6-(2,5-dichlorophenyl)sulfanyloxan-2-yl]methyl acetate
Basic information
- CAS
5394-31-0- Standard SMILES
CC(=O)OCC1OC(Sc2cc(Cl)ccc2Cl)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
SZUCOOLVALZRNF-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2O9S
- Average molar mass
- 509.4 g/mol
- Monoisotopic mass
- 508.0361588
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-(2,5-dichlorophenyl)sulfanyloxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-(2,5-dichlorophenyl)sulfanyloxan-2-yl]methyl acetate
Names & synonyms
5394-31-0NSC9792, TETRAACETATE2,5-dichlorophenyl 2,3,4,6-tetra-o-acetyl-1-thiohexopyranoside[3,4,5-triacetyloxy-6-(2,5-dichlorophenyl)sulfanyloxan-2-yl]methyl acetateDTXSID20968734NSC-979
Database identifiers
- CAS
5394-31-0- PubChem CID
- 219545
- DTXSID
DTXSID20968734
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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