ChemSpider 2D Image | 2-Methyl-2-propanyl (1R,2R,6S)-2-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-6-[(2S,3S)-1-[(2-methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-1-oxo-3-p henyl-2-propanyl]cyclohexanecarboxylate | C40H63NO8

2-Methyl-2-propanyl (1R,2R,6S)-2-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-6-[(2S,3S)-1-[(2-methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-1-oxo-3-p henyl-2-propanyl]cyclohexanecarboxylate

  • Molecular FormulaC40H63NO8
  • Average mass685.930 Da
  • Monoisotopic mass685.455383 Da
  • ChemSpider ID30659222

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,6S)-2-({[(1R,2R,4R)-2-Méthoxy-7,7-diméthylbicyclo[2.2.1]hept-1-yl]méthyl}amino)-6-[(2S,3S)-1-[(2-méthyl-2-propanyl)oxy]-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}oxy)-1-oxo-3-phényl-2-propanyl]cyc lohexanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1R,2R,6S)-2-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-6-[(2S,3S)-1-[(2-methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-1-oxo-3-p henyl-2-propanyl]cyclohexanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1R,2R,6S)-2-({[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}amino)-6-[(2S,3S)-1-[(2-methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}oxy)-1-oxo-3-p henyl-2-propanyl]cyclohexancarboxylat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[(1S,2R,3R)-2-[(1,1-dimethylethoxy)carbonyl]-3-[[[(1R,2R,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl]amino]cyclohexyl]-β-[[(1,1-dimethylethoxy)carbonyl]oxy ]-, 1,1-dimethylethyl ester, (αS,βS)- [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: 684.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 190.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 1292.58
ACD/KOC (pH 5.5): 780.05
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 4832.42
ACD/KOC (pH 7.4): 2916.30
Polar Surface Area: 109 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 619.2±5.0 cm3

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