[(1As,8S,8Ar,8Bs)-8A-Methoxy-5-Methyl-4,7-Dioxo-6-{[2-(Phosphonooxy)Ethyl]Amino}-1,1A,2,4,7,8,8A,8B-Octahydroazireno[2',3':3,4]Pyrrolo[1,2-A]Indol-8-Yl]Methyl Carbamate

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Properties Simple | Detailed

Formula C17H23N4O9P
IUPAC Name [(4s,6s,7r,8s)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phosphonooxyethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular Mass 458.360 g·mol−1
Heat of Formation -1536.3 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 480.55 Å 3
Surface Area 389.82 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-((2-(phosphonooxy)ethyl)amino)-, (1as-(1aalpha,8beta,8aalpha,8balpha))-
  • mitomycin phosphate
CAS Number(s)
  • 124580-38-7
InChIKey MNOGBRROKHFONU-CJUKMMNNSA-N
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