Basic information
- CAS
83831-64-5- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O[N+](=O)[O-])c(=O)n1- InChIKey
JOHUQOHTIZCLLJ-CCXZUQQUSA-N- Molecular formula
- C9H12N4O7
- Average molar mass
- 288.21 g/mol
- Monoisotopic mass
- 288.07059873
Names & identifiers
- Preferred name
- 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine
- IUPAC
- [(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] nitrate
- English name
- 1-(2-O-nitro-beta-D-arabinofuranosyl)cytosine
- Molecular weight
- 0
Names & synonyms
Nitrara-C1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine83831-64-5RefChem:742031-(2-O-nitro-|A-D-arabinofuranosyl)cytosine[(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] nitrateCHEMBL3142688SCHEMBL10721712JOHUQOHTIZCLLJ-CCXZUQQUSA-NDTXSID2010039144-Imino-1-(2-O-nitropentofuranosyl)-1,4-dihydropyrimidin-2-ol2(1H)-Pyrimidinone, 4-amino-1-(2-O-nitro-beta-D-arabinofuranosyl)-
Show more names
1-(2-O-nitro-β-D-arabinofuranosyl)cytosine
4-Imino-1-(2-O-nitro-beta-D-arabinofuranosyl)-1,4-dihydropyrimidin-2-ol
Database identifiers
- CAS
83831-64-5- PubChem CID
- 134364
- DTXSID
DTXSID201003914- ChEMBL
CHEMBL3142688
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 473
Chemistry & industry
Suppliers1 total
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
Related reactions
2 records
Compound notes
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