ChemSpider 2D Image | (5xi,23S,24E)-23-Hydroxy-3,7-dioxolanosta-8,24-dien-26-oic acid | C30H44O5

(5ξ,23S,24E)-23-Hydroxy-3,7-dioxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID78442029

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5ξ,23S,24E)-23-Hydroxy-3,7-dioxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(5ξ,23S,24E)-23-Hydroxy-3,7-dioxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,23S,24E)-23-hydroxy-3,7-dioxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 23-hydroxy-3,7-dioxo-, (5ξ,23S,24E)- [ACD/Index Name]
(+)-hainanic acid A
Hainanic acid A
  • Miscellaneous

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 357.8±28.0 °C
Index of Refraction: 1.558
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 386.63
ACD/KOC (pH 5.5): 1244.07
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 6.10
ACD/KOC (pH 7.4): 19.62
Polar Surface Area: 92 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 419.5±5.0 cm3

Click to predict properties on the Chemicalize site


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