Basic information
- Standard SMILES
CC[C@@H](CO[N+](=O)[O-])NC(=O)[C@@H]1CSC(=O)N1- InChIKey
ZUWPBNPRLUORNS-WDSKDSINSA-N- Molecular formula
- C8H13N3O5S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.0575917
Names & identifiers
- Preferred name
- (4R)-N-[(1S)-1-Ethyl-2-nitroxyethyl]-2-oxothiazolidin-4-yl-carboxamide
- IUPAC
- [(2S)-2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]butyl] nitrate
Names & synonyms
CHEMBL39938ZUWPBNPRLUORNS-WDSKDSINSA-N(4R)-N-[(1S)-1-Ethyl-2-nitroxyethyl]-2-oxothiazolidin-4-yl-carboxamide
Database identifiers
- PubChem CID
- 9813896
- ChEMBL
CHEMBL39938
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Compound notes
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