ChemSpider 2D Image | Elfvingic acid D | C30H42O9

Elfvingic acid D

  • Molecular FormulaC30H42O9
  • Average mass546.649 Da
  • Monoisotopic mass546.282898 Da
  • ChemSpider ID10276022

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2α,3β,7β,15β)-2,3,15,20-Tetrahydroxy-12,23-dioxo-7,8-epoxylanosta-9(11),16-dien-26-oic acid [ACD/IUPAC Name]
(2α,3β,7β,15β)-2,3,15,20-Tetrahydroxy-12,23-dioxo-7,8-epoxylanosta-9(11),16-dien-26-säure [German] [ACD/IUPAC Name]
Acide (2α,3β,7β,15β)-2,3,15,20-tétrahydroxy-12,23-dioxo-7,8-époxylanosta-9(11),16-dién-26-oïque [French] [ACD/IUPAC Name]
Elfvingic acid D
Lanosta-9(11),16-dien-26-oic acid, 7,8-epoxy-2,3,15,20-tetrahydroxy-12,23-dioxo-, (2α,3β,7β,15β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 243.5±26.4 °C
Index of Refraction: 1.615
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 28.80
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 400.5±5.0 cm3

Click to predict properties on the Chemicalize site


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