Basic information
- Standard SMILES
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)CS1- InChIKey
RJDQNCIJIBLJIS-HTQZYQBOSA-N- Molecular formula
- C8H12O5S
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.04054465
Names & identifiers
- Preferred name
- trans-2-Acetoxymethyl-5-acetoxy-1,3-oxathiolane
- IUPAC
- [(2R,5R)-5-acetyloxy-1,3-oxathiolan-2-yl]methyl acetate
Names & synonyms
SCHEMBL6951387RJDQNCIJIBLJIS-HTQZYQBOSA-Ntrans-2-acetoxymethyl-5-acetoxy-1,3-oxathiolane
Database identifiers
- PubChem CID
- 69945247
- Nikkaji
- J3.452.195F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
1 records
Compound notes
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