ChemSpider 2D Image | 1-Isopropyl-4-(4-methoxybenzyl)-5-methyl-1H-pyrazol-3-yl 6-O-(isobutoxycarbonyl)-beta-D-glucopyranoside | C26H38N2O9

1-Isopropyl-4-(4-methoxybenzyl)-5-methyl-1H-pyrazol-3-yl 6-O-(isobutoxycarbonyl)-β-D-glucopyranoside

  • Molecular FormulaC26H38N2O9
  • Average mass522.588 Da
  • Monoisotopic mass522.257751 Da
  • ChemSpider ID8318352

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Isopropyl-4-(4-methoxybenzyl)-5-methyl-1H-pyrazol-3-yl 6-O-(isobutoxycarbonyl)-β-D-glucopyranoside [ACD/IUPAC Name]
1-Isopropyl-4-(4-methoxybenzyl)-5-methyl-1H-pyrazol-3-yl-6-O-(isobutoxycarbonyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(Isobutoxycarbonyl)-β-D-glucopyranoside de 1-isopropyl-4-(4-méthoxybenzyl)-5-méthyl-1H-pyrazol-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(4-methoxyphenyl)methyl]-5-methyl-1-(1-methylethyl)-1H-pyrazol-3-yl 6-O-[(2-methylpropoxy)carbonyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.52
ACD/KOC (pH 5.5): 543.61
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.53
ACD/KOC (pH 7.4): 543.70
Polar Surface Area: 142 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 396.9±7.0 cm3

Click to predict properties on the Chemicalize site


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