ChemSpider 2D Image | (6E,8E,10Z,16E)-15,24-Dihydroxy-5,22-dimethoxy-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 | C37H52N2O8

(6E,8E,10Z,16E)-15,24-Dihydroxy-5,22-dimethoxy-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 FormulaC37H52N2O8
  • Average mass652.817 Da
  • Monoisotopic mass652.372375 Da
  • ChemSpider ID4943265

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,8E,10Z,16E)-15,24-Dihydroxy-5,22-dimethoxy-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]
(6E,8E,10Z,16E)-15,24-Dihydroxy-5,22-dimethoxy-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)-, (6E,8E,10Z,16E)-15,24-dihydroxy-5,22-dimethoxy-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 (6E,8E,10Z,16E)-15,24-dihydroxy-5,22-diméthoxy-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]
22-O-Methylmycotrienin II
98873-82-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 820.5±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: 450.0±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 181.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4510.15
ACD/KOC (pH 5.5): 14363.19
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4500.81
ACD/KOC (pH 7.4): 14333.48
Polar Surface Area: 143 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 549.0±5.0 cm3

Click to predict properties on the Chemicalize site


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