[(1S,3R)-3-hydroxycyclopentyl]methanesulfonic acid
Basic information
- CAS
64646-22-6- Standard SMILES
O=S(=O)(O)C[C@H]1CC[C@@H](O)C1- InChIKey
VQODWEMICSUVMD-NTSWFWBYSA-N- Molecular formula
- C6H12O4S
- Average molar mass
- 180.22 g/mol
- Monoisotopic mass
- 180.04563003
Names & identifiers
- Preferred name
- [(1S,3R)-3-hydroxycyclopentyl]methanesulfonic acid
- IUPAC
- [(1S,3R)-3-hydroxycyclopentyl]methanesulfonic acid
- English name
- Cyclopentanemethanesulfonic acid, 3-hydroxy-, cis- (9CI)
- Molecular formula
- C6H12O4S
- Molecular weight
- 180.22208
Names & synonyms
64646-22-6DTXSID90724107[(1S,3R)-3-hydroxycyclopentyl]methanesulfonic acidReaxys ID: 2831271Cyclopentanemethanesulfonic acid, 3-hydroxy-, cis- (9CI)
Database identifiers
- CAS
64646-22-6- PubChem CID
- 57358409
- DTXSID
DTXSID90724107
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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