ChemSpider 2D Image | (3beta,5xi,9xi,13xi,18xi)-28-Hydroxy(29,29-~2~H_2_)lup-20(29)-en-3-yl acetate | C32H50D2O3

(3β,5ξ,9ξ,13ξ,18ξ)-28-Hydroxy(29,29-2H2)lup-20(29)-en-3-yl acetate

  • Molecular FormulaC32H50D2O3
  • Average mass486.766 Da
  • Monoisotopic mass486.404205 Da
  • ChemSpider ID26596736

  • defined stereocentres - 6 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5ξ,9ξ,13ξ,18ξ)-28-Hydroxy(29,29-2H2)lup-20(29)-en-3-yl acetate [ACD/IUPAC Name]
(3β,5ξ,9ξ,13ξ,18ξ)-28-Hydroxy(29,29-2H2)lup-20(29)-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5ξ,9ξ,13ξ,18ξ)-28-hydroxy(29,29-2H2)lup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
Lup-20(29)-ene-29,29-d2-3,28-diol, 3-acetate, (3β,5ξ,9ξ,13ξ,18ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 192.7±15.4 °C
Index of Refraction: 1.535
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.91
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1327014.63
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1327014.63
Polar Surface Area: 47 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 458.6±5.0 cm3

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