ChemSpider 2D Image | (3beta,5beta,8xi,9xi)-3-{[2,6-Dideoxy-4-O-(beta-D-glucopyranosyl)-beta-D-xylo-hexopyranosyl]oxy}-5,14,19-trihydroxy-19-oxocard-20(22)-enolide | C35H52O15

(3β,5β,8ξ,9ξ)-3-{[2,6-Dideoxy-4-O-(β-D-glucopyranosyl)-β-D-xylo-hexopyranosyl]oxy}-5,14,19-trihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC35H52O15
  • Average mass712.778 Da
  • Monoisotopic mass712.330627 Da
  • ChemSpider ID8570496

  • defined stereocentres - 15 of 17 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ)-3-{[2,6-Dideoxy-4-O-(β-D-glucopyranosyl)-β-D-xylo-hexopyranosyl]oxy}-5,14,19-trihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-{[2,6-Didesoxy-4-O-(β-D-glucopyranosyl)-β-D-xylo-hexopyranosyl]oxy}-5,14,19-trihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-{[2,6-Didésoxy-4-O-(β-D-glucopyranosyl)-β-D-xylo-hexopyranosyl]oxy}-5,14,19-trihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl)oxy]-5,14,19-trihydroxy-19-oxo-, (3β,5β,8ξ,9ξ)- [ACD/Index 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: 948.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.5±6.0 kJ/mol
Flash Point: 295.4±27.8 °C
Index of Refraction: 1.642
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.48
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 81.3±5.0 dyne/cm
Molar Volume: 471.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement