ChemSpider 2D Image | 1-O-[(5xi,8alpha,9xi,10alpha)-13-{[(4xi)-2-O-(beta-D-Glucopyranosyl)-alpha-D-xylo-hexopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-threo-hexopyranose | C38H60O18

1-O-[(5ξ,8α,9ξ,10α)-13-{[(4ξ)-2-O-(β-D-Glucopyranosyl)-α-D-xylo-hexopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-threo-hexopyranose

  • Molecular FormulaC38H60O18
  • Average mass804.872 Da
  • Monoisotopic mass804.377991 Da
  • ChemSpider ID24534056

  • defined stereocentres - 16 of 21 defined stereocentres

More details:

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

1-O-[(5ξ,8α,9ξ,10α)-13-{[(4ξ)-2-O-(β-D-Glucopyranosyl)-α-D-xylo-hexopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-threo-hexopyranose [ACD/IUPAC Name]
1-O-[(5ξ,8α,9ξ,10α)-13-{[(4ξ)-2-O-(β-D-Glucopyranosyl)-α-D-xylo-hexopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-threo-hexopyranose [German] [ACD/IUPAC Name]
1-O-[(5ξ,8α,9ξ,10α)-13-{[(4ξ)-2-O-(β-D-Glucopyranosyl)-α-D-xylo-hexopyranosyl]oxy}-18-oxokaur-16-én-18-yl]-β-D-thréo-hexopyranose [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: 963.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.1±6.0 kJ/mol
Flash Point: 290.3±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: 1.19
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 39.83
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 39.83
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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