ChemSpider 2D Image | [(1aS,8R,8bS)-7-Hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate | C16H20N4O6

[(1aS,8R,8bS)-7-Hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate

  • Molecular FormulaC16H20N4O6
  • Average mass364.353 Da
  • Monoisotopic mass364.138275 Da
  • ChemSpider ID58816448

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[(1aS,8R,8bS)-7-Hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate [ACD/IUPAC Name]
[(1aS,8R,8bS)-7-Hydroxy-4,8a-dimethoxy-5-methyl-6-nitroso-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methylhydrogenkohlenstoffimidat [German] [ACD/IUPAC Name]
Azirino[2',3':3,4]pyrrolo[1,2-a]indol-7-ol, 1,1a,2,8,8a,8b-hexahydro-8-[(hydroxyiminomethoxy)methyl]-4,8a-dimethoxy-5-methyl-6-nitroso-, (1aS,8R,8bS)- [ACD/Index Name]
Hydrogénocarbonimidate de [(1aS,8R,8bS)-7-hydroxy-4,8a-diméthoxy-5-méthyl-6-nitroso-1,1a,2,8,8a,8b-hexahydroaziréno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]méthyle [French] [ACD/IUPAC Name]
113785-48-1 [RN]
8-((AMINOCARBONYL)OXY)METHYL-4,8A-DIMETHOXY-1,1A,2,8,8A,8B-HEXAHYDRO-7-HYDROXY-5-METHYL-6-NITROSOAZIRINO(2',3'-3,4)- PYRROLO-[1,2-A]INDOLE

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

Density: 1.8±0.1 g/cm3
Boiling Point: 571.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 299.2±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 207.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement