ChemSpider 2D Image | (1beta,3alpha,5alpha,8alpha,11beta,13alpha,17alpha)-1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide | C23H34O8

(1β,3α,5α,8α,11β,13α,17α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide

  • Molecular FormulaC23H34O8
  • Average mass438.511 Da
  • Monoisotopic mass438.225372 Da
  • ChemSpider ID62570864

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1β,3α,5α,8α,11β,13α,17α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3α,5α,8α,11β,13α,17α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3α,5α,8α,11β,13α,17α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
(1β,3β,5α,8α,9β,11β,13α,14α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3β,5α,8α,9β,11β,13α,14α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3β,5α,8α,9β,11β,13α,14α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 1,3,5,11,14,19-hexahydroxy-, (1β,3α,5α,8α,11β,13α,17α)- [ACD/Index Name]
Card-20(22)-enolide, 1,3,5,11,14,19-hexahydroxy-, (1β,3β,5α,8α,9β,11β,13α,14α)- [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: 714.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 246.9±26.4 °C
Index of Refraction: 1.679
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.13
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.13
Polar Surface Area: 148 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 90.1±3.0 dyne/cm
Molar Volume: 288.4±3.0 cm3

Click to predict properties on the Chemicalize site


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