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

Structural Information

Molecular Formula

C₇₉H₈₉N₂₇O₃₇P₆

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(=O)(O)O

InChI

InChI=1S/C79H89N27O37P6/c1-36-23-101(78(112)100-69(36)107)52-18-41(46(132-52)24-126-79(37-11-5-2-6-12-37,38-13-7-3-8-14-38)39-15-9-4-10-16-39)139-145(116,117)128-27-49-43(20-55(135-49)104-33-89-60-66(104)93-75(82)97-71(60)109)142-148(122,123)130-29-51-45(22-57(137-51)106-35-91-62-68(106)95-77(84)99-73(62)111)143-149(124,125)131-28-50-44(21-56(136-50)105-34-90-61-67(105)94-76(83)98-72(61)110)141-147(120,121)129-26-48-42(19-53(134-48)102-31-87-58-63(80)85-30-86-64(58)102)140-146(118,119)127-25-47-40(138-144(113,114)115)17-54(133-47)103-32-88-59-65(103)92-74(81)96-70(59)108/h2-16,23,30-35,40-57H,17-22,24-29H2,1H3,(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H2,80,85,86)(H,100,107,112)(H2,113,114,115)(H3,81,92,96,108)(H3,82,93,97,109)(H3,83,94,98,110)(H3,84,95,99,111)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53?,54+,55+,56+,57+/m0/s1

InChIKey

JHMDSCCDCJISGD-MLRLDKAGSA-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-phosphonooxyoxolan-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 16186568