[3,4,5-Triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate
Basic information
- CAS
71083-91-5- Standard SMILES
CC(=O)OCC1OC(n2nc(CBr)cc2C(N)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
TUKKSPZGHXNSMP-UHFFFAOYSA-N- Molecular formula
- C19H24BrN3O10
- Average molar mass
- 534.3 g/mol
- Monoisotopic mass
- 533.06451
Names & identifiers
- Preferred name
- [3,4,5-Triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate
- IUPAC
- [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate
Names & synonyms
71083-91-5NSC333575DTXSID60318658NSC-3335753-(Bromomethyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1H-pyrazole-5-carboxamide
Database identifiers
- CAS
71083-91-5- PubChem CID
- 333282
- DTXSID
DTXSID60318658
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 781
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Related reactions
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Compound notes
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