Basic information
- CAS
83053-71-8- Standard SMILES
CC(=O)N[C@@H](CS)C(=O)OC(C)C(=O)O- InChIKey
LHXIEKQUBKMIFM-RZKHNPSRSA-N- Molecular formula
- C8H13NO5S
- Average molar mass
- 235.26 g/mol
- Monoisotopic mass
- 235.05144369
Overview
RN given refers to L-isomer
Names & identifiers
- Preferred name
- N-Acetyl-S-lactoylcysteine
- IUPAC
- 2-[(2R)-2-acetamido-3-sulfanylpropanoyl]oxypropanoic acid
- English name
- N-acetyl-S-lactoylcysteine
- Molecular formula
- C8H13NO5S
- Molecular weight
- 235.26
Names & synonyms
NASLCN-Acetyl-S-lactoylcysteine83053-71-8L-Cysteine, N-acetyl-, 2-hydroxypropanoate (ester)RefChem:162668SCHEMBL76462202-{[N-(1-Hydroxyethylidene)cysteinyl]oxy}propanoic acidDTXSID0010030992-{[N-(1-Hydroxyethylidene)-L-cysteinyl]oxy}propanoic acidL-Cysteine, N-acetyl-, 2-hydroxypropanoate (ester) (9CI)
Database identifiers
- CAS
83053-71-8- PubChem CID
- 196236
- DTXSID
DTXSID001003099
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 499.1 · 499.1±45.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 3.12 · 3.12±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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