1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-1,2,3-triazole-4,5-dicarbonitrile
Basic information
- CAS
70042-32-9- Standard SMILES
CC(=O)OC1COC(n2nnc(C#N)c2C#N)C(OC(C)=O)C1OC(C)=O- InChIKey
YKOUFBSDCJNMPB-UHFFFAOYSA-N- Molecular formula
- C15H15N5O7
- Average molar mass
- 377.31 g/mol
- Monoisotopic mass
- 377.09714783
Names & identifiers
- Preferred name
- 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-1,2,3-triazole-4,5-dicarbonitrile
- IUPAC
- [4,5-diacetyloxy-6-(4,5-dicyanotriazol-1-yl)oxan-3-yl] acetate
Names & synonyms
70042-32-9NSC297554DTXSID10990286NSC2975531-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-1,2,3-triazole-4,5-dicarbonitrileNSC-297553NSC-29755470042-33-0
Database identifiers
- CAS
70042-32-9、70042-33-0- PubChem CID
- 326356
- DTXSID
DTXSID10990286
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 710
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Compound notes
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