Cccccc, phosphorothioate

Structural Information

Molecular Formula

C₅₄H₇₃N₁₈O₂₉P₅S₅

SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=O)(OC6CC(OC6COP(=S)(O)OC7CC(OC7CO)N8C=CC(=NC8=O)N)N9C=CC(=NC9=O)N)S)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C54H73N18O29P5S5/c55-37-1-7-67(49(75)61-37)43-13-25(74)32(92-43)20-86-102(81,107)98-27-15-45(69-9-3-39(57)63-51(69)77)94-34(27)22-88-104(83,109)100-29-17-47(71-11-5-41(59)65-53(71)79)96-36(29)24-90-106(85,111)101-30-18-48(72-12-6-42(60)66-54(72)80)95-35(30)23-89-105(84,110)99-28-16-46(70-10-4-40(58)64-52(70)78)93-33(28)21-87-103(82,108)97-26-14-44(91-31(26)19-73)68-8-2-38(56)62-50(68)76/h1-12,25-36,43-48,73-74H,13-24H2,(H,81,107)(H,82,108)(H,83,109)(H,84,110)(H,85,111)(H2,55,61,75)(H2,56,62,76)(H2,57,63,77)(H2,58,64,78)(H2,59,65,79)(H2,60,66,80)

InChIKey

KOMPLGMELCMMDH-UHFFFAOYSA-N

Compound name

4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one

Related CIDs

• CID 16072341