CC1=CC=C(C=C1)CC2=C(NN=C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(F)(F)F
Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate
SMILES: CC1=CC=C(C=C1)CC2=C(NN=C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(F)(F)F

Molecular Processing

Molecular formula
C26H29F3N2O10
Molecular weight
586.52
Exact mass
586.1774
XLogP
2.79
TPSA
152.34
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
130.16

Supplementary Information

InChIKey: BNHSGWCPFYORIP-ILJOYBHNSA-N
Synonyms
4-[(4-Methylphenyl)methyl]-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-5-trifluoromethyl-1H-pyrazoleSCHEMBL22539314-[(4-methylphenyl)-methyl]-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-5-trifluoromethyl-1H-pyrazole
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Involved in 7 reactions→

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