4-(Dimethylamino)phenyl 2,3,4,6-tetra-o-acetyl-1-thiohexopyranoside
Basic information
- CAS
23094-82-8- Standard SMILES
CC(=O)OCC1OC(Sc2ccc(N(C)C)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
WXAXEFOUFFNUKL-UHFFFAOYSA-N- Molecular formula
- C22H29NO9S
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.15630268
Names & identifiers
- Preferred name
- 4-(Dimethylamino)phenyl 2,3,4,6-tetra-o-acetyl-1-thiohexopyranoside
- IUPAC
- [3,4,5-triacetyloxy-6-[4-(dimethylamino)phenyl]sulfanyloxan-2-yl]methyl acetate
Names & synonyms
23094-82-84-(dimethylamino)phenyl 2,3,4,6-tetra-o-acetyl-1-thiohexopyranosideNSC125615DTXSID70945772NSC-125615Glucopyranoside, 2,3,4,6-tetraacetate, .beta.-D-p-(Dimethylamino) phenyltetra-O-acetyl-1-thio-.beta.-d-glucopyranoside
Database identifiers
- CAS
23094-82-8- PubChem CID
- 277124
- DTXSID
DTXSID70945772
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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