ChemSpider 2D Image | [(1aS,8S,8aR,8bS)-6-{(E)-[(Dimethylamino)methylene]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 | C18H23N5O5

[(1aS,8S,8aR,8bS)-6-{(E)-[(Dimethylamino)methylene]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 FormulaC18H23N5O5
  • Average mass389.406 Da
  • Monoisotopic mass389.169922 Da
  • ChemSpider ID81367915

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1aS,8S,8aR,8bS)-6-{(E)-[(Dimethylamino)methylen]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]
[(1aS,8S,8aR,8bS)-6-{(E)-[(Dimethylamino)methylene]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]
Carbamate de [(1aS,8S,8aR,8bS)-6-{(E)-[(diméthylamino)méthylène]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]
Methanimidamide, N'-[(1aS,8S,8aR,8bS)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-6-yl]-N,N-dimethyl- [ACD/Index Name]
88949-01-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 593.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.7±32.9 °C
Index of Refraction: 1.725
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 49.22
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 73.68
Polar Surface Area: 136 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 242.7±7.0 cm3

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