Geneticin Disulfate Salt

Analyte Name

Geneticin Disulfate Salt

CAS Number

108321-42-2

Molecular Formula

C20 H40 N4 O10 . 2 H2 O4 S

Molecular Weight

692.71

Accurate Mass

692.2092

SMILES

CN[C@H]1[C@H](O)[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)OC[C@@]1(C)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6?,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17-,18+,19-,20+;;/m0../s1

IUPAC

(2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid

Alternate CAS Number

Free base: 49863-47-0

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)