ChemSpider 2D Image | (7alpha,8alpha,20xi)-20-Hydroxy-3,12,15,23-tetraoxo-7,8-epoxylanosta-9(11),16-dien-26-oic acid | C30H38O8

(7α,8α,20ξ)-20-Hydroxy-3,12,15,23-tetraoxo-7,8-epoxylanosta-9(11),16-dien-26-oic acid

  • Molecular FormulaC30H38O8
  • Average mass526.618 Da
  • Monoisotopic mass526.256653 Da
  • ChemSpider ID8431815

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(7α,8α,20ξ)-20-Hydroxy-3,12,15,23-tetraoxo-7,8-epoxylanosta-9(11),16-dien-26-oic acid [ACD/IUPAC Name]
(7α,8α,20ξ)-20-Hydroxy-3,12,15,23-tetraoxo-7,8-epoxylanosta-9(11),16-dien-26-säure [German] [ACD/IUPAC Name]
Acide (7α,8α,20ξ)-20-hydroxy-3,12,15,23-tétraoxo-7,8-époxylanosta-9(11),16-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-9(11),16-dien-26-oic acid, 7,8-epoxy-20-hydroxy-3,12,15,23-tetraoxo-, (7α,8α,20ξ)- [ACD/Index Name]
Applanoxidic acid C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.4±6.0 kJ/mol
Flash Point: 239.5±26.4 °C
Index of Refraction: 1.592
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 57.94
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 400.5±5.0 cm3

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