Analyte Name

((dibromo-((((2S,3R,4S,5S)-5-(6-(diethylamino)purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-sodiooxyphosphoryl)oxy-sodiooxyphosphoryl)methyl)-hydroxyphosphoryl)oxysodium

CAS Number

1021868-83-6

Molecular Formula

C15 H21 Br2 N5 Na3 O12 P3

Molecular Weight

785.052

Accurate Mass

782.846

SMILES

CCN(CC)c1ncnc2c1ncn2[C@H]3O[C@@H](COP(=O)(O[Na])OP(=O)(O[Na])C(Br)(Br)P(=O)(O)O[Na])[C@H](O)[C@@H]3O

InChI

InChI=1S/C15H24Br2N5O12P3.3Na/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27;;;/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27);;;/q;3*+1/p-3/t8-,10-,11-,14-;;;/m0.../s1

IUPAC

[[dibromo-[[[(2S,3R,4S,5S)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-sodiooxyphosphoryl]oxy-sodiooxyphosphoryl]methyl]-hydroxyphosphoryl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Synthesis Tools

Product Format

Neat