Basic information
- Standard SMILES
CC(CO[N+](=O)[O-])NC(=O)[C@@H]1CSC(=O)N1- InChIKey
FKXIFERJNLWUMJ-AKGZTFGVSA-N- Molecular formula
- C7H11N3O5S
- Average molar mass
- 249.25 g/mol
- Monoisotopic mass
- 249.04194163
Names & identifiers
- Preferred name
- (4R)-N-[1-(Nitrooxymethyl)ethyl]-2-oxothiazolidine-4-carboxamide
- IUPAC
- 2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]propyl nitrate
Names & synonyms
SCHEMBL9213523FKXIFERJNLWUMJ-AKGZTFGVSA-N(4R)-N-[1-(Nitrooxymethyl)ethyl]-2-oxothiazolidine-4-carboxamide
Database identifiers
- PubChem CID
- 53804780
- Nikkaji
- J2.054.825H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
2 records
Compound notes
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