ChemSpider 2D Image | (3beta)-28-Oxo-28-(1-piperidinyl)lup-20(29)-ene-3,23-diyl diacetate | C39H61NO5

(3β)-28-Oxo-28-(1-piperidinyl)lup-20(29)-ene-3,23-diyl diacetate

  • Molecular FormulaC39H61NO5
  • Average mass623.905 Da
  • Monoisotopic mass623.454956 Da
  • ChemSpider ID26334659
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β)-28-Oxo-28-(1-piperidinyl)lup-20(29)-en-3,23-diyl-diacetat [German] [ACD/IUPAC Name]
(3β)-28-Oxo-28-(1-piperidinyl)lup-20(29)-ene-3,23-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3β)-28-oxo-28-(1-pipéridinyl)lup-20(29)-ène-3,23-diyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-one, 3,23-bis(acetyloxy)-28-(1-piperidinyl)-, (3β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 662.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.6±24.6 °C
Index of Refraction: 1.546
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.04
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2597771.00
ACD/LogD (pH 7.4): 9.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2597773.75
Polar Surface Area: 73 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 560.6±5.0 cm3

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