ChemSpider 2D Image | (3beta,5alpha)-6,23-Dioxocholest-7-en-3-yl beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid | C44H68O18

(3β,5α)-6,23-Dioxocholest-7-en-3-yl β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronic acid

  • Molecular FormulaC44H68O18
  • Average mass885.000 Da
  • Monoisotopic mass884.440552 Da
  • ChemSpider ID35517085

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,5α)-6,23-Dioxocholest-7-en-3-yl β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,5α)-6,23-Dioxocholest-7-en-3-yl-β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranosiduronique de (3β,5α)-6,23-dioxocholest-7-én-3-yle [French] [ACD/IUPAC Name]
Cholest-7-ene-6,23-dione, 3-[[O-β-D-glucopyranosyl-(1->;2)-O-α-L-arabinopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy]-, (3β,5α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1029.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.4±6.0 kJ/mol
Flash Point: 300.5±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 215.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.40
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 85.4±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 619.3±5.0 cm3

Click to predict properties on the Chemicalize site


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