Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](CO)CSc1cc[nH]c(=O)c1[N+](=O)[O-]- InChIKey
BEPSWAKCLTVLHG-MRVPVSSYSA-N- Molecular formula
- C13H19N3O6S
- Average molar mass
- 345.37 g/mol
- Monoisotopic mass
- 345.09945651
Names & identifiers
- Preferred name
- tert-butyl{(2R)-1-hydroxy-3-[(3-nitro-2-oxo-1,2-dihydropyridin-4-yl)sulfanyl]propan-2-yl}carbamate
- IUPAC
- tert-butyl N-[(2R)-1-hydroxy-3-[(3-nitro-2-oxo-1H-pyridin-4-yl)sulfanyl]propan-2-yl]carbamate
Names & synonyms
SCHEMBL10079738BEPSWAKCLTVLHG-MRVPVSSYSA-Ntert-butyl{(2R)-1-hydroxy-3-[(3-nitro-2-oxo-1,2-dihydropyridin-4-yl)sulfanyl]propan-2-yl}carbamate
Database identifiers
- PubChem CID
- 88563545
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Related reactions
1 records
Compound notes
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