Basic information
- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](Oc2n[nH]c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
OYZZVRUJWGXBFF-CBNWRBMVSA-N- Molecular formula
- C28H36N2O11
- Average molar mass
- 576.6 g/mol
Names & identifiers
- Preferred name
- 4-[(4-Isopropoxy-phenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyloxy)-1h-pyrazole
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate
Names & synonyms
SCHEMBL2251903OYZZVRUJWGXBFF-CBNWRBMVSA-N4-[(4-isopropoxy-phenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyloxy)-1h-pyrazole4-[(4-isopropoxyphenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole
Database identifiers
- PubChem CID
- 67335077
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 907
Related reactions
20 records
Linked notes
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