ChemSpider 2D Image | 15-Acetoxy-24-hydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl N-(cyclohexylcarbonyl)alaninate | C38H50N2O10

15-Acetoxy-24-hydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl N-(cyclohexylcarbonyl)alaninate

  • Molecular FormulaC38H50N2O10
  • Average mass694.811 Da
  • Monoisotopic mass694.346558 Da
  • ChemSpider ID8803801

  • Double-bond stereo - Double-bond stereo

More details:

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

15-Acetoxy-24-hydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl N-(cyclohexylcarbonyl)alaninate [ACD/IUPAC Name]
15-Acetoxy-24-hydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-13-yl-N-(cyclohexylcarbonyl)alaninat [German] [ACD/IUPAC Name]
Alanine, N-(cyclohexylcarbonyl)-, 15-(acetyloxy)-24-hydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20(24),23-hexaen-13-yl ester [ACD/Index Name]
N-(Cyclohexylcarbonyl)alaninate de 15-acétoxy-24-hydroxy-5-méthoxy-14,16-diméthyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tétracosa-1(23),6,8,10,16,20(24)-hexaén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 825.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 453.3±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 185.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 130.25
ACD/KOC (pH 5.5): 500.28
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 9.46
Polar Surface Area: 174 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 564.9±5.0 cm3

Click to predict properties on the Chemicalize site


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