Phenyl 2,3,6-tri-o-acetyl-4-o-(2,3,4,6-tetra-o-acetylhexopyranosyl)-1-thiohexopyranoside
Basic information
- CAS
28022-13-1- Standard SMILES
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(Sc3ccccc3)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
OJVHDCHVHOISBO-UHFFFAOYSA-N- Molecular formula
- C32H40O17S
- Average molar mass
- 728.7 g/mol
- Monoisotopic mass
- 728.19862098
Names & identifiers
- Preferred name
- Phenyl 2,3,6-tri-o-acetyl-4-o-(2,3,4,6-tetra-o-acetylhexopyranosyl)-1-thiohexopyranoside
- IUPAC
- [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-phenylsulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
Names & synonyms
28022-13-1phenyl 2,3,6-tri-o-acetyl-4-o-(2,3,4,6-tetra-o-acetylhexopyranosyl)-1-thiohexopyranosideNSC1680SCHEMBL18927632DTXSID10950709NSC-1680NSC224303NSC232026NSC232027NSC252193NSC-224303NSC-232026
Show more names
NSC-232027NSC-252193PHENYL 4-O-.BETA.-D-GLUCOPYRANOSYL-1-THIO-.BETA.-D-GLUCOPYRANOSIDE, HEPTAACETATE28022-14-25346-81-6
Database identifiers
- CAS
28022-13-1、28022-14-2、5346-81-6- PubChem CID
- 219895
- DTXSID
DTXSID10950709
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 20
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,230
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Compound notes
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