ChemSpider 2D Image | Methyl 4-acetoxy-15-[13-acetoxy-18-ethyl-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.0~4,12~.0~5,10~.0~16,18~]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin
e-3-carboxylate | C46H56N4O10

Methyl 4-acetoxy-15-[13-acetoxy-18-ethyl-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin e-3-carboxylate

  • Molecular FormulaC46H56N4O10
  • Average mass824.958 Da
  • Monoisotopic mass824.399658 Da
  • ChemSpider ID2339087

More details:






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

4-Acétoxy-15-[13-acétoxy-18-éthyl-1-oxydo-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tétraén-13-yl]-3-hydroxy-16-méthoxy-1-méthyl-6,7-didéhydroaspidospermidine-3-car boxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-15-[11-(acetyloxy)-1a-ethyl-1a,2,3,4,5,10,11,12,13,13a-decahydro-3-oxido-3,13-methanooxireno[9,10]azacycloundecino[5,4-b]indol-11-yl]-6,7-didehydro-3- hydroxy-16-methoxy-1-methyl-, methyl ester [ACD/Index Name]
Methyl 4-acetoxy-15-[13-acetoxy-18-ethyl-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin
 e-3-carboxylate [ACD/IUPAC Name]
Methyl-4-acetoxy-15-[13-acetoxy-18-ethyl-1-oxido-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin
 -3-carboxylat [German] [ACD/IUPAC Name]
39608-80-5 [RN]
Leurosine-N'(b)-oxide
Pleurosine

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 40.37
ACD/KOC (pH 5.5): 385.60
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.25
ACD/KOC (pH 7.4): 890.65
Polar Surface Area: 160 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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