ChemSpider 2D Image | (3beta,9xi,14xi,22E)-Ergosta-7,22-dien-3-yl palmitate | C44H76O2

(3β,9ξ,14ξ,22E)-Ergosta-7,22-dien-3-yl palmitate

  • Molecular FormulaC44H76O2
  • Average mass637.073 Da
  • Monoisotopic mass636.584534 Da
  • ChemSpider ID78445633

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(3β,9ξ,14ξ,22E)-Ergosta-7,22-dien-3-yl palmitate [ACD/IUPAC Name]
(3β,9ξ,14ξ,22E)-Ergosta-7,22-dien-3-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (3β,9ξ,14ξ,22E)-ergosta-7,22-dien-3-yl ester [ACD/Index Name]
Palmitate de (3β,9ξ,14ξ,22E)-ergosta-7,22-dién-3-yle [French] [ACD/IUPAC Name]
Ergosta-7,22-dien-3β-yl palmitate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 658.0±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.9±18.8 °C
Index of Refraction: 1.511
Molar Refractivity: 198.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 17.98
ACD/LogD (pH 5.5): 16.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 664.2±5.0 cm3

Click to predict properties on the Chemicalize site


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