ChemSpider 2D Image | (3beta,5xi,6beta,18alpha,19alpha)-6-Hydroxyurs-20-en-3-yl palmitate | C46H80O3

(3β,5ξ,6β,18α,19α)-6-Hydroxyurs-20-en-3-yl palmitate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID8803689

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,5ξ,6β,18α,19α)-6-Hydroxyurs-20-en-3-yl palmitate [ACD/IUPAC Name]
(3β,5ξ,6β,18α,19α)-6-Hydroxyurs-20-en-3-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (3β,5ξ,6β,18α,19α)-6-hydroxyurs-20-en-3-yl ester [ACD/Index Name]
Palmitate de (3β,5ξ,6β,18α,19α)-6-hydroxyurs-20-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 230.8±24.3 °C
Index of Refraction: 1.522
Molar Refractivity: 207.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 17.53
ACD/LogD (pH 5.5): 16.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 681.9±5.0 cm3

Click to predict properties on the Chemicalize site


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