ChemSpider 2D Image | Betulin palmitate | C46H80O3

Betulin palmitate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID29365055

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-Hydroxylup-20(29)-en-28-yl palmitate [ACD/IUPAC Name]
(3β)-3-Hydroxylup-20(29)-en-28-ylpalmitat [German] [ACD/IUPAC Name]
582315-55-7 [RN]
Betulin palmitate
Hexadecanoic acid, (3β)-3-hydroxylup-20(29)-en-28-yl ester [ACD/Index Name]
Palmitate de (3β)-3-hydroxylup-20(29)-én-28-yle [French] [ACD/IUPAC Name]
[582315-55-7] [RN]
MFCD20260594

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

Density: 1.0±0.1 g/cm3
Boiling Point: 685.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 232.2±16.8 °C
Index of Refraction: 1.501
Molar Refractivity: 207.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 17.35
ACD/LogD (pH 5.5): 15.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 705.2±3.0 cm3

Click to predict properties on the Chemicalize site


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