ChemSpider 2D Image | (3beta,5beta,11alpha)-3-{[4-O-(alpha-D-Allopyranosyl)-6-deoxy-beta-D-allopyranosyl]oxy}-11,14-dihydroxy-19-oxocard-20(22)-enolide | C35H52O15

(3β,5β,11α)-3-{[4-O-(α-D-Allopyranosyl)-6-deoxy-β-D-allopyranosyl]oxy}-11,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC35H52O15
  • Average mass712.778 Da
  • Monoisotopic mass712.330627 Da
  • ChemSpider ID8732151

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,5β,11α)-3-{[4-O-(α-D-Allopyranosyl)-6-deoxy-β-D-allopyranosyl]oxy}-11,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,11α)-3-{[4-O-(α-D-Allopyranosyl)-6-desoxy-β-D-allopyranosyl]oxy}-11,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,11α)-3-{[4-O-(α-D-Allopyranosyl)-6-désoxy-β-D-allopyranosyl]oxy}-11,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(4-O-α-D-allopyranosyl-6-deoxy-β-D-allopyranosyl)oxy]-11,14-dihydroxy-19-oxo-, (3β,5β,11α)- [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: 933.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.0±6.0 kJ/mol
Flash Point: 290.4±27.8 °C
Index of Refraction: 1.640
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.47
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 242 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 473.3±5.0 cm3

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