ChemSpider 2D Image | (5xi,7alpha)-7-(Hexopyranosyloxy)-3-oxolanosta-8,24-dien-21-oic acid | C36H56O9

(5ξ,7α)-7-(Hexopyranosyloxy)-3-oxolanosta-8,24-dien-21-oic acid

  • Molecular FormulaC36H56O9
  • Average mass632.824 Da
  • Monoisotopic mass632.392456 Da
  • ChemSpider ID78445266

  • defined stereocentres - 6 of 12 defined stereocentres

More details:

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

(5ξ,7α)-7-(Hexopyranosyloxy)-3-oxolanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(5ξ,7α)-7-(Hexopyranosyloxy)-3-oxolanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
Acide (5ξ,7α)-7-(hexopyranosyloxy)-3-oxolanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 7-(hexopyranosyloxy)-3-oxo-, (5ξ,7α)- [ACD/Index Name]
Laetiposide C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 767.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 233.6±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 193.25
ACD/KOC (pH 5.5): 831.05
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 13.09
Polar Surface Area: 154 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 506.8±5.0 cm3

Click to predict properties on the Chemicalize site


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