ChemSpider 2D Image | [(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-(~2~H_3_)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 | C16H16D3N3O6

[(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-(2H3)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 FormulaC16H16D3N3O6
  • Average mass352.357 Da
  • Monoisotopic mass352.146210 Da
  • ChemSpider ID8626061

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-(2H3)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]
[(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-(2H3)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-6,8a-dimethoxy-5-(methyl-d3)-, (1aS,8S,8aR,8bS)- [ACD/Index Name]
Carbamate de [(1aS,8S,8aR,8bS)-6,8a-diméthoxy-5-(2H3)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: 587.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.1±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 38.03
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.64
Polar Surface Area: 130 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 232.4±5.0 cm3

Click to predict properties on the Chemicalize site


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