Basic information
- CAS
28083-98-9- Standard SMILES
O=[N+]([O-])c1cccc2nn(C3OC(CO)C(O)C3O)cc12- InChIKey
PXAQQSLSQBCJFG-UHFFFAOYSA-N- Molecular formula
- C12H13N3O6
- Average molar mass
- 295.25 g/mol
- Monoisotopic mass
- 295.08043514
Names & identifiers
- Preferred name
- 4-Nitro-2-pentofuranosyl-2h-indazole
- IUPAC
- 2-(hydroxymethyl)-5-(4-nitroindazol-2-yl)oxolane-3,4-diol
Names & synonyms
28083-98-94-nitro-2-pentofuranosyl-2h-indazoleNSC131917DTXSID50299664NSC-131917
Database identifiers
- CAS
28083-98-9- PubChem CID
- 280330
- DTXSID
DTXSID50299664
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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