ChemSpider 2D Image | (E)-({(8aR)-8-[(Carbamoyloxy)methyl]-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-6-yl}imino)-N,N-dimethylmethanaminium | C18H24N5O5

(E)-({(8aR)-8-[(Carbamoyloxy)methyl]-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-6-yl}imino)-N,N-dimethylmethanaminium

  • Molecular FormulaC18H24N5O5
  • Average mass390.413 Da
  • Monoisotopic mass390.177185 Da
  • ChemSpider ID23092875

  • Charge - Charge

    defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(E)-({(8aR)-8-[(Carbamoyloxy)methyl]-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-6-yl}imino)-N,N-dimethylmethanaminium [ACD/IUPAC Name]
(E)-({(8aR)-8-[(Carbamoyloxy)methyl]-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-6-yl}imino)-N,N-dimethylmethanaminium [German] [ACD/IUPAC Name]
(E)-({(8aR)-8-[(Carbamoyloxy)méthyl]-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-6-yl}imino)-N,N-diméthylméthanaminium [French] [ACD/IUPAC Name]
Methanaminium, N-[[[(8aR)-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]amino]methylene]-N-methyl- [ACD/Index Name]
({[(7R)-8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino}methylidene)dimethylazanium
Mitomycin Analogue

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

Density:
Boiling Point:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 136 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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