ChemSpider 2D Image | {(1R,2R,4aS,5R)-2-Acetoxy-5-[2-(isopropylamino)-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl acetate | C27H41NO6

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

  • Molecular FormulaC27H41NO6
  • Average mass475.617 Da
  • Monoisotopic mass475.293396 Da
  • ChemSpider ID32081762

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

{(1R,2R,4aS,5R)-2-Acetoxy-5-[2-(isopropylamino)-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)-2-Acetoxy-5-[2-(isopropylamino)-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,5R,6R,8aS)-6-(acetyloxy)-5-[(acetyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-[(1-methylethyl)amino]ethyl]- [ACD/Index Name]
Acétate de {(1R,2R,4aS,5R)-2-acétoxy-5-[2-(isopropylamino)-2-(2-oxo-2,5-dihydro-3-furanyl)éthyl]-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalényl}méthyle [French] [ACD/IUPAC Name]
MFCD09699714

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 11.57
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 110.47
ACD/KOC (pH 7.4): 489.97
Polar Surface Area: 91 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 422.8±5.0 cm3

Click to predict properties on the Chemicalize site


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