ChemSpider 2D Image | (3beta,9beta,18alpha)-3-Hydroxy-N-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-(2-methyl-2-propen-1-yl)-11-oxoolean-12-en-29-amide | C40H64N2O4

(3β,9β,18α)-3-Hydroxy-N-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-(2-methyl-2-propen-1-yl)-11-oxoolean-12-en-29-amide

  • Molecular FormulaC40H64N2O4
  • Average mass636.947 Da
  • Monoisotopic mass636.486633 Da
  • ChemSpider ID34017957

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,9β,18α)-3-Hydroxy-N-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-(2-methyl-2-propen-1-yl)-11-oxoolean-12-en-29-amid [German] [ACD/IUPAC Name]
(3β,9β,18α)-3-Hydroxy-N-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-(2-methyl-2-propen-1-yl)-11-oxoolean-12-en-29-amide [ACD/IUPAC Name]
(3β,9β,18α)-3-Hydroxy-N-{2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-N-(2-méthyl-2-propén-1-yl)-11-oxooléan-12-én-29-amide [French] [ACD/IUPAC Name]
Olean-12-en-29-amide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-3-hydroxy-N-(2-methyl-2-propen-1-yl)-11-oxo-, (3β,9β,18α)- [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: 740.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 401.3±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 185.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 350344.72
ACD/KOC (pH 5.5): 323834.44
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 350344.72
ACD/KOC (pH 7.4): 323834.44
Polar Surface Area: 87 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 581.0±5.0 cm3

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