ChemSpider 2D Image | {(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-(butylamino)-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl acetate | C28H43NO6

{(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-(butylamino)-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl acetate

  • Molecular FormulaC28H43NO6
  • Average mass489.644 Da
  • Monoisotopic mass489.309052 Da
  • ChemSpider ID58915878

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

{(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-(butylamino)-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylendecahydro-1-naphthalinyl}methyl-acetat [German] [ACD/IUPAC Name]
{(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-(butylamino)-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl acetate [ACD/IUPAC Name]
2(5H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-6-(acetyloxy)-5-[(acetyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(butylamino)ethyl]- [ACD/Index Name]
Acétate de {(1R,2R,4aS,5R,8aS)-2-acétoxy-5-[2-(butylamino)-2-(2-oxo-2,5-dihydro-3-furanyl)éthyl]-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalényl}méthyle [French] [ACD/IUPAC 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: 577.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.8±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 19.21
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 218.70
ACD/KOC (pH 7.4): 763.60
Polar Surface Area: 91 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 438.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement