5'-trityl-d(tgggag)-3'-phosphorothioate

Structural Information

Molecular Formula

C₈₀H₉₃N₂₇O₃₆P₆S

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)N(C)C1=C(C(=O)NC(=N1)N)N=C)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)O

InChI

InChI=1S/C80H93N27O36P6S/c1-37-25-103(79(113)101-70(37)108)54-20-42(47(133-54)26-126-80(38-13-7-4-8-14-38,39-15-9-5-10-16-39)40-17-11-6-12-18-40)139-145(116,117)129-30-51-44(22-56(136-51)105-34-90-61-67(105)94-76(83)98-72(61)110)141-146(118,119)127-27-48-41(19-53(132-48)102(3)66-60(86-2)71(109)97-75(82)93-66)138-144(114,115)128-29-50-45(23-57(135-50)106-35-91-62-68(106)95-77(84)99-73(62)111)142-147(120,121)130-28-49-43(21-55(134-49)104-33-89-59-64(81)87-32-88-65(59)104)140-148(122,123)131-31-52-46(143-149(124,125)150)24-58(137-52)107-36-92-63-69(107)96-78(85)100-74(63)112/h4-18,25,32-36,41-58H,2,19-24,26-31H2,1,3H3,(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H2,81,87,88)(H,101,108,113)(H2,124,125,150)(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+/m0/s1

InChIKey

FYBJDOFKYGWQNS-JWRRUIDMSA-N

Compound name

[(2R,3S,5R)-3-[[(2R,3S,5R)-5-[[2-amino-5-(methylideneamino)-6-oxo-1H-pyrimidin-4-yl]-methylamino]-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-dihydroxyphosphinothioyloxyoxolan-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]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186567