Gentamicin C1 Pentaacetate Salt

Analyte Name

Gentamicin C1 Pentaacetate Salt

CAS Number

25876-10-2

Molecular Formula

C21H43N5O7.5C2H4O2

Molecular Weight

777.86

Accurate Mass

777.4219

Melting Point

125-130

Flash Point

-20

Color

Light green

Odor

Odourless

SMILES

CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C21H43N5O7.5C2H4O2/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;5*1-2(3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;5*1H3,(H,3,4)/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;;;;;/m1...../s1

IUPAC

acetic acid;(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol

Alternate CAS Number

Parent compound: 25876-10-2

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Tariff Code

29419000

Product Format

Neat