Basic information
- CAS
80792-02-5- Standard SMILES
CC(=O)OCC1OC(n2ncnc2CI)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
YJLAVQPPWGCQOU-UHFFFAOYSA-N- Molecular formula
- C17H22IN3O9
- Average molar mass
- 539.3 g/mol
- Monoisotopic mass
- 539.04008
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-[5-(iodomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-[5-(iodomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
Names & synonyms
80792-02-5NSC333005[3,4,5-triacetyloxy-6-[5-(iodomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetateDTXSID90318606NSC-3330055-(Iodomethyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1H-1,2,4-triazole
Database identifiers
- CAS
80792-02-5- PubChem CID
- 333097
- DTXSID
DTXSID90318606
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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