ChemSpider 2D Image | (2beta,3beta,4beta,5alpha,12beta,19alpha)-15-[(17S)-17-Ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-4(12),5,7,10-tetraen-13-yl]-3,4-dihydroxy-16-methoxy-1 -methyl-6,7-didehydroaspidospermidine-3-carboxylic acid | C43H54N4O8

(2β,3β,4β,5α,12β,19α)-15-[(17S)-17-Ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,10-tetraen-13-yl]-3,4-dihydroxy-16-methoxy-1 -methyl-6,7-didehydroaspidospermidine-3-carboxylic acid

  • Molecular FormulaC43H54N4O8
  • Average mass754.911 Da
  • Monoisotopic mass754.394165 Da
  • ChemSpider ID111312389

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2β,3β,4β,5α,12β,19α)-15-[(17S)-17-Ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,10-tetraen-13-yl]-3,4-dihydroxy-16-methoxy-1 -methyl-6,7-didehydroaspidospermidin-3-carbonsäure [German] [ACD/IUPAC Name]
(2β,3β,4β,5α,12β,19α)-15-[(17S)-17-Ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,10-tetraen-13-yl]-3,4-dihydroxy-16-methoxy-1 -methyl-6,7-didehydroaspidospermidine-3-carboxylic acid [ACD/IUPAC Name]
Acide (2β,3β,4β,5α,12β,19α)-15-[(17S)-17-éthyl-17-hydroxy-13-(méthoxycarbonyl)-1,11-diazatétracyclo[13.3.1.04,12.05,10]nonadéca-4(12),5,7,10-tétraén-13-yl]-3,4-dihydroxy-16-mét hoxy-1-méthyl-6,7-didéhydroaspidospermidine-3-carboxylique [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 6,7-didehydro-15-[(5S)-5-ethyl-1,4,5,6,7,8,9,11-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3,4-dihydroxy-16-methoxy-1- ;methyl-, (2β,3β,4β,5α,12β,19α)- [ACD/Index 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: 1.702
Molar Refractivity: 202.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.36
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 522.4±7.0 cm3

Click to predict properties on the Chemicalize site


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