ChemSpider 2D Image | 1-O-(13-{[3-O-(beta-L-Glucopyranosyl)-beta-L-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl)-beta-L-glucopyranose | C38H60O18

1-O-(13-{[3-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl)-β-L-glucopyranose

  • Molecular FormulaC38H60O18
  • Average mass804.872 Da
  • Monoisotopic mass804.377991 Da
  • ChemSpider ID82964773

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

1-O-(13-{[3-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl)-β-L-glucopyranose [German] [ACD/IUPAC Name]
1-O-(13-{[3-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl)-β-L-glucopyranose [ACD/IUPAC Name]
1-O-(13-{[3-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-18-oxokaur-16-én-18-yl)-β-L-glucopyranose [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 974.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.9±6.0 kJ/mol
Flash Point: 293.9±27.8 °C
Index of Refraction: 1.646
Molar Refractivity: 190.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 47.33
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 47.33
Polar Surface Area: 295 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 524.7±5.0 cm3

Click to predict properties on the Chemicalize site


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