Basic information
- CAS
105086-85-9- Standard SMILES
O=[N+]([O-])c1ncn(C2OC(CO)C(O)C2O)n1- InChIKey
VWZSFCBEPDJYOU-UHFFFAOYSA-N- Molecular formula
- C7H10N4O6
- Average molar mass
- 246.18 g/mol
- Monoisotopic mass
- 246.06003405
Names & identifiers
- Preferred name
- 3-Nitro-1-pentofuranosyl-1h-1,2,4-triazole
- IUPAC
- 2-(hydroxymethyl)-5-(3-nitro-1,2,4-triazol-1-yl)oxolane-3,4-diol
Names & synonyms
3-nitro-1-pentofuranosyl-1h-1,2,4-triazoleNSC1331131,2,4-TRIAZOLE,3-NITRO-1-D-RIBOFURANOSEDTXSID40875678NSC-13311324806-95-9105086-85-9
Database identifiers
- CAS
105086-85-9、24806-95-9- PubChem CID
- 280894
- DTXSID
DTXSID40875678
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
LogP-1.54
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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