5'-gtgggag-3'

Structural Information

Molecular Formula

C₇₀H₈₇N₃₂O₃₆P₇S₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)O)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C70H87N32O36P7S7/c1-24-9-96(70(110)95-59(24)104)40-3-26(34(127-40)12-121-142(115,149)134-27-5-42(128-33(27)11-119-139(111,112)146)99-20-81-48-55(99)86-66(73)91-61(48)106)133-141(114,148)123-14-36-29(6-43(130-36)100-21-82-49-56(100)87-67(74)92-62(49)107)137-144(117,151)125-16-38-31(8-45(132-38)102-23-84-51-58(102)89-69(76)94-64(51)109)138-145(118,152)124-15-37-30(7-44(131-37)101-22-83-50-57(101)88-68(75)93-63(50)108)136-143(116,150)122-13-35-28(4-41(129-35)97-18-79-46-52(71)77-17-78-53(46)97)135-140(113,147)120-10-32-25(103)2-39(126-32)98-19-80-47-54(98)85-65(72)90-60(47)105/h9,17-23,25-45,103H,2-8,10-16H2,1H3,(H,113,147)(H,114,148)(H,115,149)(H,116,150)(H,117,151)(H,118,152)(H2,71,77,78)(H,95,104,110)(H2,111,112,146)(H3,72,85,90,105)(H3,73,86,91,106)(H3,74,87,92,107)(H3,75,88,93,108)(H3,76,89,94,109)

InChIKey

MDQQHKHLLCKGNX-UHFFFAOYSA-N

Compound name

1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204644