ChemSpider 2D Image | 2-(1-Piperidinyl)ethyl (3alpha,5beta,14beta,18alpha)-3-acetoxy-11-oxoolean-12-en-30-oate | C39H61NO5

2-(1-Piperidinyl)ethyl (3α,5β,14β,18α)-3-acetoxy-11-oxoolean-12-en-30-oate

  • Molecular FormulaC39H61NO5
  • Average mass623.905 Da
  • Monoisotopic mass623.454956 Da
  • ChemSpider ID10044595
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3α,5β,14β,18α)-3-Acétoxy-11-oxooléan-12-én-30-oate de 2-(1-pipéridinyl)éthyle [French] [ACD/IUPAC Name]
2-(1-Piperidinyl)ethyl (3α,5β,14β,18α)-3-acetoxy-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
2-(1-Piperidinyl)ethyl-(3α,5β,14β,18α)-3-acetoxy-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-(acetyloxy)-11-oxo-, 2-(1-piperidinyl)ethyl ester, (3α,5β,14β,18α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 664.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.5±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 177.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 8196.15
ACD/KOC (pH 5.5): 3973.75
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 390343.88
ACD/KOC (pH 7.4): 189251.17
Polar Surface Area: 73 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 557.9±5.0 cm3

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