Basic information
- CAS
70042-30-7- Standard SMILES
CC(=O)OC1COC(n2nc(C#N)c(C#N)n2)C(OC(C)=O)C1OC(C)=O- InChIKey
HRFUWAJXPFFSSJ-UHFFFAOYSA-N- Molecular formula
- C15H15N5O7
- Average molar mass
- 377.31 g/mol
- Monoisotopic mass
- 377.09714783
Names & identifiers
- Preferred name
- [4,5-Diacetyloxy-6-(4,5-dicyanotriazol-2-yl)oxan-3-yl] acetate
- IUPAC
- [4,5-diacetyloxy-6-(4,5-dicyanotriazol-2-yl)oxan-3-yl] acetate
Names & synonyms
70042-30-7NSC297552[4,5-diacetyloxy-6-(4,5-dicyanotriazol-2-yl)oxan-3-yl] acetateDTXSID10315814NSC-2975522-(2,3,4-Tri-O-acetylpentopyranosyl)-2H-1,2,3-triazole-4,5-dicarbonitrile
Database identifiers
- CAS
70042-30-7- PubChem CID
- 326355
- DTXSID
DTXSID10315814
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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