Methyl 3-s-benzyl-4,6-o-benzylidene-3-thiohexopyranoside
Basic information
- CAS
6341-03-3- Standard SMILES
COC1OC2COC(c3ccccc3)OC2C(SCc2ccccc2)C1O- InChIKey
NZIHSBBFFOSDLQ-UHFFFAOYSA-N- Molecular formula
- C21H24O5S
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.13444504
Names & identifiers
- Preferred name
- Methyl 3-s-benzyl-4,6-o-benzylidene-3-thiohexopyranoside
- IUPAC
- 8-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
Names & synonyms
6341-03-3methyl 3-s-benzyl-4,6-o-benzylidene-3-thiohexopyranosideNSC46334DTXSID80286527NSC-46334
Database identifiers
- CAS
6341-03-3- PubChem CID
- 240248
- DTXSID
DTXSID80286527
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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