ChemSpider 2D Image | (3beta,8xi,9xi,14xi,17xi,20xi,22Z,24xi)-Stigmasta-5,22-dien-3-yl palmitate | C45H78O2

(3β,8ξ,9ξ,14ξ,17ξ,20ξ,22Z,24ξ)-Stigmasta-5,22-dien-3-yl palmitate

  • Molecular FormulaC45H78O2
  • Average mass651.100 Da
  • Monoisotopic mass650.600159 Da
  • ChemSpider ID4476134

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,17ξ,20ξ,22Z,24ξ)-Stigmasta-5,22-dien-3-yl palmitate [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,17ξ,20ξ,22Z,24ξ)-Stigmasta-5,22-dien-3-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (3β,8ξ,9ξ,14ξ,17ξ,20ξ,22Z,24ξ)-stigmasta-5,22-dien-3-yl ester [ACD/Index Name]
Palmitate de (3β,8ξ,9ξ,14ξ,17ξ,20ξ,22Z,24ξ)-stigmasta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
24-Ethylcholesta-5,22-dien-3β-ol palmitic acid ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 668.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.3±13.2 °C
Index of Refraction: 1.510
Molar Refractivity: 203.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 18.50
ACD/LogD (pH 5.5): 16.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 680.2±5.0 cm3

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