Analyte Name

Apramycin Acetate - Deuterated

Molecular Formula

C21 H41 N5 O11 . x[CH3COOH] (undeuterated)

Molecular Weight

590.7

SMILES

[2H]C([2H])C1O[C@H](O[C@H]2O[C@@H]3CC(N)[C@@H](O[C@H]4[C@H](N)C[C@H](N)[C@]([2H])(O)[C@]4([2H])O)O[C@@H]3[C@]([2H])(O)[C@@H]2NC)[C@@]([2H])(O)[C@]([2H])(O)[C@@H]1N.CC(=O)O

InChI

InChI=1S/C21H41N5O10.C2H4O2/c1-5-10(25)13(28)16(31)21(32-5)36-20-11(26-2)14(29)18-9(33-20)4-8(24)19(35-18)34-17-7(23)3-6(22)12(27)15(17)30;1-2(3)4/h5-21,26-31H,3-4,22-25H2,1-2H3;1H3,(H,3,4)/t5?,6-,7+,8?,9+,10+,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+;/m0./s1/i1D2,12D,13D,14D,15D,16D;

IUPAC

(2R,3S,4R,5S)-2-[[(2R,3S,4R,4aR,6S,8aR)-7-amino-4-deuterio-6-[(1S,2S,3S,4S,6R)-4,6-diamino-2,3-dideuterio-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]oxy]-5-amino-3,4-dideuterio-6-(dideuteriomethyl)oxane-3,4-diol;acetic acid

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)