6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose
Basic information
- CAS
6000-91-5- Standard SMILES
CC1(C)OC2OC(C(O)CSCc3ccccc3)C(O)C2O1- InChIKey
PZWFHFBFBRCVOP-UHFFFAOYSA-N- Molecular formula
- C16H22O5S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.11879497
Names & identifiers
- Preferred name
- 6-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranose
- IUPAC
- 5-(2-benzylsulfanyl-1-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
Names & synonyms
6000-91-5NSC1711096-S-Benzyl-1,2-O-(1-methylethylidene)-6-thiohexofuranoseDTXSID40305561NSC-171109
Database identifiers
- CAS
6000-91-5- PubChem CID
- 298780
- DTXSID
DTXSID40305561
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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