ChemSpider 2D Image | (5xi,15alpha,20Z)-15-Hydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oic acid | C30H42O6

(5ξ,15α,20Z)-15-Hydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC30H42O6
  • Average mass498.651 Da
  • Monoisotopic mass498.298126 Da
  • ChemSpider ID114935451

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5ξ,15α,20Z)-15-Hydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(5ξ,15α,20Z)-15-Hydroxy-3,11,23-trioxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,15α,20Z)-15-hydroxy-3,11,23-trioxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 15-hydroxy-3,11,23-trioxo-, (5ξ,15α,20Z)- [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: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 369.1±28.0 °C
Index of Refraction: 1.564
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 42.35
ACD/KOC (pH 5.5): 273.34
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.30
Polar Surface Area: 109 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 416.3±5.0 cm3

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