Basic information
- CAS
244301-87-9- Standard SMILES
C[C@H](O)CSCCS(=O)(=O)O- InChIKey
QWNJCCLFGYAGRK-YFKPBYRVSA-N- Molecular formula
- C5H12O4S2
- Average molar mass
- 200.3 g/mol
- Monoisotopic mass
- 200.01770121
Overview
(S)-2-hydroxypropyl-CoM is a 2-hydroxypropyl-CoM. It is a conjugate acid of a (S)-2-hydroxypropyl-CoM(1-). It is an enantiomer of a (R)-2-hydroxypropyl-CoM.
Names & identifiers
- Preferred name
- (S)-2-hydroxypropyl-CoM
- IUPAC
- 2-[(2S)-2-hydroxypropyl]sulfanylethanesulfonic acid
Names & synonyms
(S)-2-Hydroxypropyl-CoM2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid244301-87-9CHEBI:18288DTXSID903320692-(((2S)-2-hydroxypropyl)sulfanyl)ethanesulfonic acid2-(S)-Hydroxypropyl-CoMRefChem:70394DTXCID90283163(2S)-2-hydroxypropyl-CoM2-[(2S)-2-hydroxypropyl]sulfanylethanesulfonic acid2-{[(2S)-2-hydroxypropyl]sulfanyl}ethane-1-sulfonic acid
Show more names
Q271029711HS
Database identifiers
- CAS
244301-87-9- PubChem CID
- 443232
- DTXSID
DTXSID90332069- ChEBI
CHEBI:18288- Nikkaji
- J2.774.704C
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…