Basic information
- CAS
106984-15-0- Standard SMILES
O=C(O)C(=O)N[C@@H](CS)C(=O)O- InChIKey
JOFZGZRXVKSFKN-REOHCLBHSA-N- Molecular formula
- C5H7NO5S
- Average molar mass
- 193.18 g/mol
- Monoisotopic mass
- 193.0044935
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Oxalylcysteine
- IUPAC
- (2R)-2-(oxaloamino)-3-sulfanylpropanoic acid
- English name
- N-oxalylcysteine
- Molecular formula
- C5H7NO5S
- Molecular weight
- 193.18
Names & synonyms
N-OxalylcysteineCys-N-Ox106984-15-0DTXSID90147852L-Cysteine, N-(carboxycarbonyl)-RefChem:164073DTXCID7070343N-Oxalo-L-cysteineCHEMBL2030711N-oxalyl-L-cysteine
Database identifiers
- CAS
106984-15-0- PubChem CID
- 129484
- DTXSID
DTXSID90147852- ChEMBL
CHEMBL2030711
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Density
- 1.6 · 1.600±0.06 g/cm3(Predicted)
- pka
- 2.03 · 2.03±0.20(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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