ChemSpider 2D Image | [(8aR)-6-{[2-(2-Hydroxyethoxy)ethyl]amino}-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate | C19H26N4O7

[(8aR)-6-{[2-(2-Hydroxyethoxy)ethyl]amino}-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate

  • Molecular FormulaC19H26N4O7
  • Average mass422.432 Da
  • Monoisotopic mass422.180145 Da
  • ChemSpider ID76826867

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

[(8aR)-6-{[2-(2-Hydroxyethoxy)ethyl]amino}-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate [ACD/IUPAC Name]
[(8aR)-6-{[2-(2-Hydroxyethoxy)ethyl]amino}-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methylcarbamat [German] [ACD/IUPAC Name]
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6-[[2-(2-hydroxyethoxy)ethyl]amino]-8a-methoxy-5-methyl-, (8aR)- [ACD/Index Name]
Carbamate de [(8aR)-6-{[2-(2-hydroxyéthoxy)éthyl]amino}-8a-méthoxy-5-méthyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroaziréno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 685.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 368.3±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.96
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.96
Polar Surface Area: 162 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 285.7±5.0 cm3

Click to predict properties on the Chemicalize site


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