ChemSpider 2D Image | (3beta,5alpha,14beta)-16-Hydroxy-15,23-dioxocholest-16-en-3-yl methyl beta-D-glucopyranosiduronate | C34H52O10

(3β,5α,14β)-16-Hydroxy-15,23-dioxocholest-16-en-3-yl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC34H52O10
  • Average mass620.771 Da
  • Monoisotopic mass620.356018 Da
  • ChemSpider ID25053538

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,14β)-16-Hydroxy-15,23-dioxocholest-16-en-3-yl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,5α,14β)-16-Hydroxy-15,23-dioxocholest-16-en-3-yl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Cholest-16-ene-15,23-dione, 16-hydroxy-3-[(6-methyl-β-D-glucopyranuronosyl)oxy]-, (3β,5α,14β)- [ACD/Index Name]
β-D-Glucopyranosiduronate de (3β,5α,14β)-16-hydroxy-15,23-dioxocholest-16-én-3-yle et de méthyle [French] [ACD/IUPAC Name]
pandaroside D methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 743.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 228.7±26.4 °C
Index of Refraction: 1.570
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 877.38
ACD/KOC (pH 5.5): 4449.48
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 864.06
ACD/KOC (pH 7.4): 4381.92
Polar Surface Area: 160 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 488.0±5.0 cm3

Click to predict properties on the Chemicalize site


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