Cas no 13164-90-4 (9-Epimitomycin B)

9-Epimitomycin B structure
9-Epimitomycin B structure
Product Name:9-Epimitomycin B
CAS No:13164-90-4
MF:C16H19N3O6
MW:349.338564157486
CID:234706
PubChem ID:202728
Update Time:2025-04-19

9-Epimitomycin B Chemical and Physical Properties

Names and Identifiers

    • 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-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8S,8aR,8bS)-
    • 9-Epimitomycin B
    • (1aS)-1,5-Dimethyl-6-methoxy-8β-(carbamoyloxymethyl)-8aα-hydroxy-1,1aα,2,8,8a,8bα-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
    • 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-hydroxy-6-methoxy
    • 9-epi-Mitomycin B
    • UZUUQCBCWDBYCG-MMJOLYBUSA-N
    • (1aS,8S,8aR)-1,1aα,2,8,8a,8bα-Hexahydro-8β-(aminocarbonyloxymethyl)-8aα-hydroxy-6-methoxy-1,5-dimethylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
    • 13164-90-4
    • (8a-Hydroxy-6-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate
    • DTXSID00927304
    • [(4S,6S,7R,8S)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
    • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(((aminocarbonyl)oxy)methyl)-1,5-dimethyl-8a-hydroxy-6-methoxy-, (1aS-(1a-alpha,8-beta,8a-alpha,8b-alpha))-
    • (1aS)-1,5-Dimethyl-6-methoxy-8beta-(carbamoyloxymethyl)-8aalpha-hydroxy-1,1aalpha,2,8,8a,8balpha-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
    • (1aS)-1,5-Dimethyl-6-methoxy-8beta-(carbamoyloxymethyl)-8aalpha-hydroxy-1,1aalpha,2,8,8a,8balpha-hexahydroazirino[2',3'
    • Inchi： 1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h7-8,14,23H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-,18?/m1/s1
    • InChI Key： UZUUQCBCWDBYCG-MMJOLYBUSA-N
    • SMILES： O[C@@]12[C@H](COC(N)=O)C3C(C(=C(C)C(C=3N1C[C@H]1[C@@H]2N1C)=O)OC)=O

Computed Properties

  • Exact Mass: 349.127
  • Monoisotopic Mass: 349.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 787
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.3
  • Topological Polar Surface Area: 122A^2

Experimental Properties

  • Density: 1.57
  • Boiling Point: 606.6°Cat760mmHg
  • Flash Point: 320.6°C
  • Refractive Index: 1.674

9-Epimitomycin B Pricemore >>

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