ChemSpider 2D Image | (3beta,5xi,7beta,24E)-3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid | C30H44O6

(3β,5ξ,7β,24E)-3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID8800577

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5ξ,7β,24E)-3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,7β,24E)-3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,7β,24E)-3,7-dihydroxy-11,15-dioxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,7-dihydroxy-11,15-dioxo-, (3β,5ξ,7β,24E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 373.5±28.0 °C
Index of Refraction: 1.569
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 227.05
ACD/KOC (pH 5.5): 1126.74
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 19.40
Polar Surface Area: 112 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 417.3±5.0 cm3

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