Diquafosol Impurity 3 | CAS No. 211448-70-3

Diquafosol Impurity 3

Basic Information

CAS Number

211448-70-3

Molecular Formula

C18H27N4O26P5

Molecular Weight

870.29 g/mol

AD

Basic Physical Properties

Density

2.099±0.06 g/cm3(Predicted)

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

InChI

InChI=1S/C18H27N4O26P5/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(43-15)5-41-49(31,32)45-51(35,36)47-53(39,40)48-52(37,38)46-50(33,34)42-6-8-12(26)14(28)16(44-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1

InChIKey

DTPUCAAWIZAYGN-NCOIDOBVSA-N

pKa

0.36±0.50(Predicted)

Synonyms & References

English

  • Diquafosol Impurity 9(UP5U)
  • Diquafosol Impurity UP5U
  • Uridine 5'-(hexahydrogen pentaphosphate), P''''→5'-ester with uridine
  • Diquafosol Impurity U2P5
  • Diquafosol Impurity 11
  • P1,P5‐Bis(5'‐uridyl) pentaphosphate pentasodium
  • Diquafosol Sodium Impurity G
  • Diquafosol Impurity 3

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