Basic information
- CAS
7599-12-4- Standard SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1- InChIKey
CEKNEBXDNNDNMN-IAGOWNOFSA-N- Molecular formula
- C17H19N3O6
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 361.12738533
Names & identifiers
- Preferred name
- [(2R,3R)-2,3-diacetyloxy-3-(2-phenyltriazol-4-yl)propyl] acetate
- IUPAC
- [(2R,3R)-2,3-diacetyloxy-3-(2-phenyltriazol-4-yl)propyl] acetate
Names & synonyms
NSC560997599-12-4NSC-56099
Database identifiers
- CAS
7599-12-4- PubChem CID
- 244841
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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