Basic information
- Standard SMILES
O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])CS1- InChIKey
WSPFZJVPRYXFFX-BYPYZUCNSA-N- Molecular formula
- C6H9N3O5S
- Average molar mass
- 235.22 g/mol
- Monoisotopic mass
- 235.02629157
Names & identifiers
- Preferred name
- (4R)-N-(2-Nitrooxyethyl)-2-oxothiazolidine-4-carboxamide
- IUPAC
- 2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate
Names & synonyms
CHEMBL35874SCHEMBL9212618WSPFZJVPRYXFFX-BYPYZUCNSA-N145283-22-3(4R)-N-(2-Nitrooxyethyl)-2-oxothiazolidine-4-carboxamide
Database identifiers
- PubChem CID
- 9856101
- ChEMBL
CHEMBL35874- Nikkaji
- J1.983.735A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Related reactions
3 records
Compound notes
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