Basic information
- CAS
29868-29-9- Standard SMILES
NC(=O)c1c([N+](=O)[O-])ncn1C1CC(O)C(CO)O1- InChIKey
VTVQMYISMKQBTL-UHFFFAOYSA-N- Molecular formula
- C9H12N4O6
- Average molar mass
- 272.21 g/mol
- Monoisotopic mass
- 272.07568412
Names & identifiers
- Preferred name
- 1-(2-Deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamide
- IUPAC
- 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxamide
Names & synonyms
29868-29-9NSC1320691-(2-deoxypentofuranosyl)-4-nitro-1h-imidazole-5-carboxamideDTXSID30952326NSC-132069
Database identifiers
- CAS
29868-29-9- PubChem CID
- 280438
- DTXSID
DTXSID30952326
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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