Analyte Name

5-(Acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-[N-(6-aminohexyl)carbamate]-D-glycero-D-galacto-Non-2-enonic Acid Bis(trifluoroacetate)

CAS Number

252061-41-9

Molecular Formula

C19H34N6O8• 2( C2HF3O2)

Molecular Weight

702.55

Accurate Mass

702.22

SMILES

OC(C1=C[C@@H]([C@H]([C@]([C@H]([C@@H](CO)O)OC(NCCCCCCN)=O)(O1)[H])NC(C)=O)NC(N)=N)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O

InChI

InChI=1S/C19H34N6O8.2C2HF3O2/c1-10(27)24-14-11(25-18(21)22)8-13(17(29)30)32-16(14)15(12(28)9-26)33-19(31)23-7-5-3-2-4-6-20;2*3-2(4,5)1(6)7/h8,11-12,14-16,26,28H,2-7,9,20H2,1H3,(H,23,31)(H,24,27)(H,29,30)(H4,21,22,25);2*(H,6,7)/t11-,12+,14+,15-,16+;;/m0../s1

IUPAC

(2R,3R,4S)-3-acetamido-2-((1S,2R)-1-(((6-aminohexyl)carbamoyl)oxy)-2,3-dihydroxypropyl)-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid--2,2,2-trifluoroacetic acid (1/2)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat