ChemSpider 2D Image | (2xi,3beta,4beta,5alpha,12beta,19xi)-15-[(13S,17S)-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]-3,4-dihydroxy-16-methoxy-1-m ethyl-6,7-didehydroaspidospermidine-3-carboximidic acid | C43H55N5O7

(2ξ,3β,4β,5α,12β,19ξ)-15-[(13S,17S)-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]-3,4-dihydroxy-16-methoxy-1-m ethyl-6,7-didehydroaspidospermidine-3-carboximidic acid

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID57642018

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(2ξ,3β,4β,5α,12β,19ξ)-15-[(13S,17S)-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]-3,4-dihydroxy-16-methoxy-1-m ethyl-6,7-didehydroaspidospermidin-3-carboximidsäure [German] [ACD/IUPAC Name]
(2ξ,3β,4β,5α,12β,19ξ)-15-[(13S,17S)-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]-3,4-dihydroxy-16-methoxy-1-m ethyl-6,7-didehydroaspidospermidine-3-carboximidic acid [ACD/IUPAC Name]
2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid, 9-[(2ξ,3β,4β,5α,12β,19ξ)-6,7-didehydro-3,4-dihydroxy-3-(hydroxyiminomethyl)-16-methoxy-1-methylaspidospermidin-15-yl]-5-et hyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (5S,9S)- [ACD/Index Name]
Acide (2ξ,3β,4β,5α,12β,19ξ)-15-[(13S,17S)-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]-3,4-dihydroxy-16-métho xy-1-méthyl-6,7-didéhydroaspidospermidine-3-carboximidique [French] [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: 1.708
Molar Refractivity: 203.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.15
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 166 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 521.9±7.0 cm3

Click to predict properties on the Chemicalize site


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