ChemSpider 2D Image | Methyl 4-acetoxy-15-[15-ethylidene-18-(methoxycarbonyl)-10,17-diazatetracyclo[12.3.1.0~3,11~.0~4,9~]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-ca
rboxylate | C45H54N4O8

Methyl 4-acetoxy-15-[15-ethylidene-18-(methoxycarbonyl)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-ca rboxylate

  • Molecular FormulaC45H54N4O8
  • Average mass778.932 Da
  • Monoisotopic mass778.394165 Da
  • ChemSpider ID380641

More details:






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

4-Acétoxy-15-[15-éthylidène-18-(méthoxycarbonyl)-10,17-diazatétracyclo[12.3.1.03,11.04,9]octadéca-3(11),4,6,8-tétraén-12-yl]-3-hydroxy-16-méthoxy-1-méthyl-6,7-didéhydroaspidospermidine-3-carboxyla 
te de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester [ACD/Index Name]
Methyl 4-acetoxy-15-[15-ethylidene-18-(methoxycarbonyl)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-ca rboxylate [ACD/IUPAC Name]
Methyl-4-acetoxy-15-[15-ethyliden-18-(methoxycarbonyl)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-3-carb oxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 213.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 201.42
ACD/KOC (pH 7.4): 683.59
Polar Surface Area: 143 Å2
Polarizability: 84.8±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 572.3±5.0 cm3

Click to predict properties on the Chemicalize site






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