trans-2-Carboethoxy-5-hydroxy-1,3-oxathiolane
Basic information
- CAS
157528-97-7- Standard SMILES
CCOC(=O)[C@@H]1O[C@@H](O)CS1- InChIKey
SSBYLEKIBQBQGF-INEUFUBQSA-N- Molecular formula
- C6H10O4S
- Average molar mass
- 178.21 g/mol
- Monoisotopic mass
- 178.02997997
Names & identifiers
- Preferred name
- trans-2-Carboethoxy-5-hydroxy-1,3-oxathiolane
- IUPAC
- ethyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
Names & synonyms
SCHEMBL6313676SSBYLEKIBQBQGF-INEUFUBQSA-NDTXSID601149374trans-2-carboethoxy-5-hydroxy-1,3-oxathiolaneethyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, ethyl ester, (2R,5R)-rel-157528-97-7
Database identifiers
- CAS
157528-97-7- PubChem CID
- 69738563
- DTXSID
DTXSID601149374
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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