ChemSpider 2D Image | 24-Methoxy-24-oxochol-5-en-3-yl 4-O-(6-deoxy-beta-D-gulopyranosyl)-beta-D-allopyranosiduronic acid | C37H58O13

24-Methoxy-24-oxochol-5-en-3-yl 4-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranosiduronic acid

  • Molecular FormulaC37H58O13
  • Average mass710.849 Da
  • Monoisotopic mass710.387756 Da
  • ChemSpider ID4475970

  • defined stereocentres - 10 of 18 defined stereocentres

More details:

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

24-Methoxy-24-oxochol-5-en-3-yl 4-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranosiduronic acid [ACD/IUPAC Name]
24-Methoxy-24-oxochol-5-en-3-yl-4-O-(6-desoxy-β-D-gulopyranosyl)-β-D-allopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 4-O-(6-désoxy-β-D-gulopyranosyl)-β-D-allopyranosiduronique de 24-méthoxy-24-oxochol-5-én-3-yle [French] [ACD/IUPAC Name]
Chol-5-en-24-oic acid, 3-[[4-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranuronosyl]oxy]-, methyl ester [ACD/Index Name]
5-Ene-methyl-cholate-3-O-β-D-glucuronopyranosyl-(14)-α-L- rhamnopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 830.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.3±6.0 kJ/mol
Flash Point: 250.9±27.8 °C
Index of Refraction: 1.590
Molar Refractivity: 178.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 529.3±5.0 cm3

Click to predict properties on the Chemicalize site


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