beta-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate
Basic information
- CAS
53438-23-6- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
VXOKXXTVFUEGRC-OBKDMQGPSA-N- Molecular formula
- C20H24O11S
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.10393275
Names & identifiers
- Preferred name
- beta-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(benzenesulfonyl)oxan-2-yl]methyl acetate
- English name
- .beta.-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate
- Molecular formula
- C20H24O11S
- Molecular weight
- 472.46
Names & synonyms
53438-23-6beta-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetateDTXSID50369553.beta.-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetateRefChem:328983DTXCID10320589[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(benzenesulfonyl)oxan-2-yl]methyl acetateVXOKXXTVFUEGRC-OBKDMQGPSA-N(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(benzenesulfonyl)-D-glucitolβ-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, 2,3,4,6-tetraacetate
Database identifiers
- CAS
53438-23-6- PubChem CID
- 2728906
- DTXSID
DTXSID50369553- Nikkaji
- J1.379.913J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 810
Physicochemical properties
- Boiling point
- 580.937 · 580.937±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.387 · 1.387±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information.beta.-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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Compound notes
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