ChemSpider 2D Image | (3beta,5alpha,22E)-Ergosta-7,22-dien-3-yl pentadecanoate | C43H74O2

(3β,5α,22E)-Ergosta-7,22-dien-3-yl pentadecanoate

  • Molecular FormulaC43H74O2
  • Average mass623.047 Da
  • Monoisotopic mass622.568909 Da
  • ChemSpider ID78442470

  • 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,5α,22E)-Ergosta-7,22-dien-3-yl pentadecanoate [ACD/IUPAC Name]
(3β,5α,22E)-Ergosta-7,22-dien-3-yl-pentadecanoat [German] [ACD/IUPAC Name]
Pentadécanoate de (3β,5α,22E)-ergosta-7,22-dién-3-yle [French] [ACD/IUPAC Name]
Pentadecanoic acid, (3β,5α,22E)-ergosta-7,22-dien-3-yl ester [ACD/Index Name]
5-dihydroergosteryl-pentadecylate
5α-ergosta-7,22E-dien-3β-yl-pentadecanoate
Ergosta-7,22-diene-3β-yl pentadecanoa

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

Density: 1.0±0.1 g/cm3
Boiling Point: 647.8±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.5±18.8 °C
Index of Refraction: 1.511
Molar Refractivity: 194.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 17.44
ACD/LogD (pH 5.5): 15.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 648.1±5.0 cm3

Click to predict properties on the Chemicalize site


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