Basic information
- CAS
70380-41-5- Standard SMILES
CC(=O)OCC1OC(n2nnc(CBr)c2CBr)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
PKMBJHIQWMUDQW-UHFFFAOYSA-N- Molecular formula
- C18H23Br2N3O9
- Average molar mass
- 585.2 g/mol
- Monoisotopic mass
- 582.9801
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-[4,5-bis(bromomethyl)triazol-1-yl]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-[4,5-bis(bromomethyl)triazol-1-yl]oxan-2-yl]methyl acetate
Names & synonyms
70380-41-5NSC283147[3,4,5-triacetyloxy-6-[4,5-bis(bromomethyl)triazol-1-yl]oxan-2-yl]methyl acetateDTXSID70314424ZINC05395906NSC-2831474,5-Bis(bromomethyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1H-1,2,3-triazole
Database identifiers
- CAS
70380-41-5- PubChem CID
- 323375
- DTXSID
DTXSID70314424
Properties
Computed structural properties
- XLogP
- 0.4
- 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
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