ChemSpider 2D Image | (3beta,15alpha,22S,24E)-3,15,22-Triacetoxylanosta-8,24-dien-26-oic acid | C36H54O8

(3β,15α,22S,24E)-3,15,22-Triacetoxylanosta-8,24-dien-26-oic acid

  • Molecular FormulaC36H54O8
  • Average mass614.809 Da
  • Monoisotopic mass614.381897 Da
  • ChemSpider ID58913398

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,15α,22S,24E)-3,15,22-Triacetoxylanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,15α,22S,24E)-3,15,22-Triacetoxylanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,15α,22S,24E)-3,15,22-triacétoxylanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,15,22-tris(acetyloxy)-, (3β,15α,22S,24E)- [ACD/Index Name]
(22S,24E)-3β,15α,22-triacetoxylanosta-8,24-dien-26-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 666.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±6.0 kJ/mol
Flash Point: 196.9±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 166.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 116718.73
ACD/KOC (pH 5.5): 89905.03
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 1893.42
ACD/KOC (pH 7.4): 1458.45
Polar Surface Area: 116 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 534.4±5.0 cm3

Click to predict properties on the Chemicalize site


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