ChemSpider 2D Image | 2-(1-Piperidinyl)ethyl (3beta)-3-acetoxy-21-oxolup-18-en-28-oate | C39H61NO5

2-(1-Piperidinyl)ethyl (3β)-3-acetoxy-21-oxolup-18-en-28-oate

  • Molecular FormulaC39H61NO5
  • Average mass623.905 Da
  • Monoisotopic mass623.454956 Da
  • ChemSpider ID90658162

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-Acétoxy-21-oxolup-18-én-28-oate de 2-(1-pipéridinyl)éthyle [French] [ACD/IUPAC Name]
2-(1-Piperidinyl)ethyl (3β)-3-acetoxy-21-oxolup-18-en-28-oate [ACD/IUPAC Name]
2-(1-Piperidinyl)ethyl-(3β)-3-acetoxy-21-oxolup-18-en-28-oat [German] [ACD/IUPAC Name]
Lup-18-en-28-oic acid, 3-(acetyloxy)-21-oxo-, 2-(1-piperidinyl)ethyl ester, (3β)- [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: 665.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.1±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 12942.67
ACD/KOC (pH 5.5): 5557.71
ACD/LogD (pH 7.4): 8.22
ACD/BCF (pH 7.4): 621924.81
ACD/KOC (pH 7.4): 267060.72
Polar Surface Area: 73 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 557.9±5.0 cm3

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