Analyte Name

MRS 2500 Tetraammonium Salt

CAS Number

630103-23-0

Molecular Formula

C13H18IN5O8P2 • 4(NH3)

Molecular Weight

629.29

Accurate Mass

629.09

SMILES

O=P(O)(OC[C@@]1([C@H](C1)[C@H](C2)N3C4=NC(I)=NC(NC)=C4N=C3)[C@H]2OP(O)(O)=O)O.N.N.N.N

InChI

InChI=1S/C13H18IN5O8P2.4H3N/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22;;;;/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25);4*1H3/t6-,7+,8+,13+;;;;/m1..../s1

IUPAC

((1R,2S,4S,5S)-4-(2-iodo-6-(methylamino)-9H-purin-9-yl)-2-(phosphonooxy)bicyclo[3.1.0]hexan-1-yl)methyl dihydrogen phosphate, tetraammonia salt

Alternate CAS Number

Free Acid: 779323-43-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Synthesis Tools

Product Format

Neat