5'-trityl-d(tgggag)-3'-phosphorothioate, methyl ester

Structural Information

Molecular Formula

C₈₀H₉₁N₂₇O₃₆P₆S

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC

InChI

InChI=1S/C80H91N27O36P6S/c1-37-24-102(79(113)101-70(37)108)53-18-41(47(132-53)25-126-80(38-12-6-3-7-13-38,39-14-8-4-9-15-39)40-16-10-5-11-17-40)138-144(114,115)127-27-49-43(20-55(134-49)104-33-89-60-66(104)93-75(82)97-71(60)109)141-146(118,119)129-29-51-45(22-57(136-51)106-35-91-62-68(106)95-77(84)99-73(62)111)142-147(120,121)130-28-50-44(21-56(135-50)105-34-90-61-67(105)94-76(83)98-72(61)110)140-145(116,117)128-26-48-42(19-54(133-48)103-32-88-59-64(81)86-31-87-65(59)103)139-148(122,123)131-30-52-46(143-149(124,150)125-2)23-58(137-52)107-36-92-63-69(107)96-78(85)100-74(63)112/h3-17,24,31-36,41-58H,18-23,25-30H2,1-2H3,(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,150)(H2,81,86,87)(H,101,108,113)(H3,82,93,97,109)(H3,83,94,98,110)(H3,84,95,99,111)(H3,85,96,100,112)/t41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54?,55+,56+,57+,58+,149?/m0/s1

InChIKey

GREWAVFTBGPIJL-YTDDYJCOSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186534