ChemSpider 2D Image | (3beta)-Lup-20(29)-en-3-yl (3R)-3-hydroxyhexadecanoate | C46H80O3

(3β)-Lup-20(29)-en-3-yl (3R)-3-hydroxyhexadecanoate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID9909793

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3R)-3-Hydroxyhexadécanoate de (3β)-lup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
(3β)-Lup-20(29)-en-3-yl (3R)-3-hydroxyhexadecanoate [ACD/IUPAC Name]
(3β)-Lup-20(29)-en-3-yl-(3R)-3-hydroxyhexadecanoat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 3-hydroxy-, (3β)-lup-20(29)-en-3-yl ester, (3R)- [ACD/Index 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: 694.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 236.1±16.8 °C
Index of Refraction: 1.519
Molar Refractivity: 207.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 17.52
ACD/LogD (pH 5.5): 15.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.92
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: 40.1±5.0 dyne/cm
Molar Volume: 683.8±5.0 cm3

Click to predict properties on the Chemicalize site


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