Analyte Name

3-(3-(N-(2,3-dihydroxypropyl)acetamido)-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzamido)-2-hydroxypropyl acetate

CAS Number

2725999-26-6

Molecular Formula

C21H28I3N3O10

Molecular Weight

863.17

Accurate Mass

862.89

SMILES

O=C(NCC(O)COC(C)=O)C1=C(I)C(C(NCC(O)CO)=O)=C(I)C(N(C(C)=O)CC(CO)O)=C1I

InChI

InChI=1S/C21H28I3N3O10/c1-9(30)27(5-13(34)7-29)19-17(23)14(20(35)25-3-11(32)6-28)16(22)15(18(19)24)21(36)26-4-12(33)8-37-10(2)31/h11-13,28-29,32-34H,3-8H2,1-2H3,(H,25,35)(H,26,36)

IUPAC

3-(3-(N-(2,3-dihydroxypropyl)acetamido)-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzamido)-2-hydroxypropyl acetate

Alternate CAS Number

66108-95-0

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat