(2R)-2-amino-3-methoxy-3-oxopropane-1-sulfinic acid
Basic information
- CAS
320370-20-5- Standard SMILES
COC(=O)[C@@H](N)CS(=O)O- InChIKey
VAPKYVRRSSVQDR-VKHMYHEASA-N- Molecular formula
- C4H9NO4S
- Average molar mass
- 167.19 g/mol
Names & identifiers
- Preferred name
- (2R)-2-amino-3-methoxy-3-oxopropane-1-sulfinic acid
- IUPAC
- (2R)-2-amino-3-methoxy-3-oxopropane-1-sulfinic acid
- English name
- L-Alanine, 3-sulfino-, 1-methyl ester (9CI)
- Molecular formula
- C4H9NO4S
- Molecular weight
- 167.18
Names & synonyms
L-Alanine, 3-sulfino-, 1-methyl esterL-Alanine, 3-sulfino-, 1-methyl ester (9CI)
Database identifiers
- CAS
320370-20-5
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 370 · 370.0±52.0 °C(Predicted)
- Density
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…