ChemSpider 2D Image | Methyl 4-acetoxy-3-ethyl-9-[17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-4(12),5,7,9-tetraen-13-yl]-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,13a- octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate | C46H58N4O9

Methyl 4-acetoxy-3-ethyl-9-[17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,13a- octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

  • Molecular FormulaC46H58N4O9
  • Average mass810.974 Da
  • Monoisotopic mass810.420349 Da
  • ChemSpider ID4320704

More details:

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

1H-Indolizino[8,1-cd]carbazole-5-carboxylic acid, 4-(acetyloxy)-3-ethyl-9-[5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3a,4,5,5a,6 ,11,12,13a-octahydro-5-hydroxy-8-methoxy-6-methyl-, methyl ester [ACD/Index Name]
4-Acétoxy-3-éthyl-9-[17-éthyl-17-hydroxy-13-(méthoxycarbonyl)-1,11-diazatétracyclo[13.3.1.04,12.05,10]nonadéca-4(12),5,7,9-tétraén-13-yl]-5-hydroxy-8-méthoxy-6-méthyl-3a,4,5,5a,6,11,12,13a-octahyd ro-1H-indolizino[8,1-cd]carbazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-acetoxy-3-ethyl-9-[17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,13a- 
octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-acetoxy-3-ethyl-9-[17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,13a- 
octahydro-1H-indolizino[8,1-cd]carbazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 220.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 17.60
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 316.42
ACD/KOC (pH 7.4): 1560.01
Polar Surface Area: 154 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 590.1±5.0 cm3

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