5'-o-monophosphoryl-cytidylyl-2',5'-p-cytidylyl-2',5'-p-cytidylyl-2',5'-cytidine

Structural Information

Molecular Formula

C₃₆H₅₀N₁₂O₂₉P₄

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@@H]([C@H](O[C@H]5N6C=CC(=NC6=O)N)COP(=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7N8C=CC(=NC8=O)N)COP(=O)(O)O)O)O)O)O)O

InChI

InChI=1S/C36H50N12O29P4/c37-17-1-5-45(33(54)41-17)29-25(53)21(49)13(71-29)10-68-79(61,62)76-27-23(51)15(73-31(27)47-7-3-19(39)43-35(47)56)12-70-81(65,66)77-28-24(52)16(74-32(28)48-8-4-20(40)44-36(48)57)11-69-80(63,64)75-26-22(50)14(9-67-78(58,59)60)72-30(26)46-6-2-18(38)42-34(46)55/h1-8,13-16,21-32,49-53H,9-12H2,(H,61,62)(H,63,64)(H,65,66)(H2,37,41,54)(H2,38,42,55)(H2,39,43,56)(H2,40,44,57)(H2,58,59,60)/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-/m1/s1

InChIKey

NGPVVJXPQDCOAQ-ROOKQUTLSA-N

Compound name

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 15725661