4-[(4-Isopropoxy-phenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyloxy)-1h-pyrazole

HCID 67335077

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

Related reactions

20 records

Linked notes

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