Basic information
- CAS
24806-97-1- Standard SMILES
CC(=O)OCC1OC(n2nc([N+](=O)[O-])nc2Br)C(OC(C)=O)C1OC(C)=O- InChIKey
QOBHHINIHFCPMZ-UHFFFAOYSA-N- Molecular formula
- C13H15BrN4O9
- Average molar mass
- 451.18 g/mol
- Monoisotopic mass
- 450.00224
Names & identifiers
- Preferred name
- 5-Bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole
- IUPAC
- [3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate
Names & synonyms
NSC13312324806-97-15-bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazoleDTXSID50299841NSC-133123[3,4-diacetoxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)tetrahydrofuran-2-yl]methyl acetateAcetic acid 4-acetoxy-5-acetoxymethyl-2-(5-bromo-3-nitro-[1,2,4]triazol-1-yl)-tetrahydro-furan-3-yl ester
Database identifiers
- CAS
24806-97-1- PubChem CID
- 280902
- DTXSID
DTXSID50299841
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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