Analyte Name

1,6'-Di-HABA Kanamycin A Sulfate Salt

Molecular Formula

C26H50N6O15 • x H2SO4

Molecular Weight

784.78

Accurate Mass

784.3

SMILES

N[C@@H]1C(C([C@H]([C@@H](C1)NC([C@H](CCN)O)=O)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C([C@@H](C(O3)CNC([C@H](CCN)O)=O)O)O)O.O=S(O)(O)=O

InChI

InChI=1S/C26H50N6O15.H2O4S/c27-3-1-10(34)23(42)31-6-12-16(37)18(39)19(40)26(44-12)46-21-8(29)5-9(32-24(43)11(35)2-4-28)22(20(21)41)47-25-17(38)14(30)15(36)13(7-33)45-25;1-5(2,3)4/h8-22,25-26,33-41H,1-7,27-30H2,(H,31,42)(H,32,43);(H2,1,2,3,4)/t8-,9+,10-,11-,12?,13?,14-,15+,16+,17?,18?,19?,20?,21?,22-,25+,26+;/m0./s1

IUPAC

(2S)-4-amino-N-((1R,2S,5S)-5-amino-4-(((2R,5S)-6-(((S)-4-amino-2-hydroxybutanamido)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(((2S,4S,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide sulfate

Alternate CAS Number

197909-67-4

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat