ChemSpider 2D Image | Methyl (1S,4aS,5S,8aS)-5-[2-(2-{[benzoyl(methyl)amino]methyl}-3-furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate | C30H39NO4

Methyl (1S,4aS,5S,8aS)-5-[2-(2-{[benzoyl(methyl)amino]methyl}-3-furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate

  • Molecular FormulaC30H39NO4
  • Average mass477.635 Da
  • Monoisotopic mass477.287903 Da
  • ChemSpider ID62464570
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,4aS,5S,8aS)-5-[2-(2-{[Benzoyl(méthyl)amino]méthyl}-3-furyl)éthyl]-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-[2-[(benzoylmethylamino)methyl]-3-furanyl]ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, (1S,4aS,5S,8aS)- [ACD/Index Name]
Methyl (1S,4aS,5S,8aS)-5-[2-(2-{[benzoyl(methyl)amino]methyl}-3-furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,5S,8aS)-5-[2-(2-{[benzoyl(methyl)amino]methyl}-3-furyl)ethyl]-1,4a-dimethyl-6-methylendecahydro-1-naphthalincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.5±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: 303.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 42719.22
ACD/KOC (pH 5.5): 71809.69
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 42719.22
ACD/KOC (pH 7.4): 71809.69
Polar Surface Area: 60 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 422.8±5.0 cm3

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