ChemSpider 2D Image | (3beta,7alpha,8alpha)-3-Hydroxy-12,15,23-trioxo-7,8-epoxylanost-9(11)-en-26-oic acid | C30H42O7

(3β,7α,8α)-3-Hydroxy-12,15,23-trioxo-7,8-epoxylanost-9(11)-en-26-oic acid

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID78442534

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,7α,8α)-3-Hydroxy-12,15,23-trioxo-7,8-epoxylanost-9(11)-en-26-oic acid [ACD/IUPAC Name]
(3β,7α,8α)-3-Hydroxy-12,15,23-trioxo-7,8-epoxylanost-9(11)-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7α,8α)-3-hydroxy-12,15,23-trioxo-7,8-époxylanost-9(11)-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-9(11)-en-26-oic acid, 7,8-epoxy-3-hydroxy-12,15,23-trioxo-, (3β,7α,8α)- [ACD/Index Name]
Applanoxidic acid D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 218.0±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 93.68
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 121 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

Click to predict properties on the Chemicalize site


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