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Substance Name: Dikanamycin A tris(sulphate)
RN: 94237-36-2
InChIKey: HDUTZUVIDICCPM-ZDKOLONZSA-N

Molecular Formula

  • C18-H36-N4-O11.3/2H2-O4-S

Molecular Weight

  • 1263.2322
 
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Names and Synonyms

Synonym

  • EINECS 304-132-2

Systematic Name

  • Dikanamycin A tris(sulphate)

Registry Numbers

CAS Registry Number

  • 94237-36-2

System Generated Number

  • 0094237362

Molecular Formulas

Molecular Formula

  • C18-H36-N4-O11.3/2H2-O4-S

Molecular Formula Fragments

  • C18-H36-N4-O11
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C18H36N4O11.3H2O4S/c2*19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;3*1-5(2,3)4/h2*4-18,23-29H,1-3,19-22H2;3*(H2,1,2,3,4)/t2*4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;;;/m11.../s1

InChIKey

HDUTZUVIDICCPM-ZDKOLONZSA-N

Smiles

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N.C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O