ChemSpider 2D Image | 15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)alaninate | C36H50N2O7

15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)alaninate

  • Molecular FormulaC36H50N2O7
  • Average mass622.791 Da
  • Monoisotopic mass622.361816 Da
  • ChemSpider ID8161981
  • Double-bond stereo - Double-bond stereo


More details:






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

15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(cyclohexylcarbonyl)alaninate [ACD/IUPAC Name]
15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl-N-(cyclohexylcarbonyl)alaninat [German] [ACD/IUPAC Name]
Alanine, N-(cyclohexylcarbonyl)-, 15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl ester [ACD/Index Name]
N-(Cyclohexylcarbonyl)alaninate de 15,22-dihydroxy-5-méthoxy-14,16-diméthyl-3-oxo-2-azabicyclo[18.3.1]tétracosa-1(24),6,8,10,16,20,22-heptaén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 820.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 449.8±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 175.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3741.16
ACD/KOC (pH 5.5): 12564.41
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3721.09
ACD/KOC (pH 7.4): 12497.05
Polar Surface Area: 134 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 527.5±5.0 cm3

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