Validamycin A Sulfate salt (Technical grade)

Analyte Name

Validamycin A Sulfate Salt

Molecular Formula

C20 H35 N O13 . x[H2SO4]

Molecular Weight

595.56928

Accurate Mass

595.1782

SMILES

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

InChI

InChI=1S/C20H35NO13.H2O4S/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20;1-5(2,3)4/h1,7-32H,2-5H2;(H2,1,2,3,4)/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+;/m1./s1

IUPAC

(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;sulfuric acid

Alternate CAS Number

Free base: 37248-47-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat