ChemSpider 2D Image | 1-O-[(5xi,8alpha,9xi,10alpha)-12-{[2-O-(beta-D-Glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-L-glucopyranose | C38H60O18

1-O-[(5ξ,8α,9ξ,10α)-12-{[2-O-(β-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-L-glucopyranose

  • Molecular FormulaC38H60O18
  • Average mass804.872 Da
  • Monoisotopic mass804.377991 Da
  • ChemSpider ID17460774

  • defined stereocentres - 19 of 22 defined stereocentres

More details:

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

1-O-[(5ξ,8α,9ξ,10α)-12-{[2-O-(β-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-L-glucopyranose [ACD/IUPAC Name]
1-O-[(5ξ,8α,9ξ,10α)-12-{[2-O-(β-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-L-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5ξ,8α,9ξ,10α)-12-{[2-O-(β-D-Glucopyranosyl)-α-D-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: 964.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.2±6.0 kJ/mol
Flash Point: 290.5±27.8 °C
Index of Refraction: 1.644
Molar Refractivity: 190.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.65
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.65
Polar Surface Area: 295 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 525.6±5.0 cm3

Click to predict properties on the Chemicalize site


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