Basic information
- CAS
70380-40-4- Standard SMILES
CC(=O)OCC1OC(n2nnc(CCl)c2CCl)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
AOOJZUQUEKZUJM-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2N3O9
- Average molar mass
- 496.3 g/mol
- Monoisotopic mass
- 495.0811347
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-[4,5-bis(chloromethyl)triazol-1-yl]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-[4,5-bis(chloromethyl)triazol-1-yl]oxan-2-yl]methyl acetate
Names & synonyms
70380-40-4NSC268393[3,4,5-triacetyloxy-6-[4,5-bis(chloromethyl)triazol-1-yl]oxan-2-yl]methyl acetateSCHEMBL2681655DTXSID70313270NSC-2683934,5-Bis(chloromethyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1H-1,2,3-triazole
Database identifiers
- CAS
70380-40-4- PubChem CID
- 320489
- DTXSID
DTXSID70313270
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…