(1-pyrenyl methyl)-5'-tgggag-3'

Structural Information

Molecular Formula

C₇₇H₈₄N₂₇O₃₄P₅

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)OP(=O)(O)OC[C@@H]7[C@H](C[C@@H](O7)N8C=NC9=C8N=C(NC9=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](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)O

InChI

InChI=1S/C77H84N27O34P5/c1-31-17-99(77(111)98-68(31)106)50-12-38(44(129-50)19-122-18-35-8-7-34-6-5-32-3-2-4-33-9-10-36(35)56(34)55(32)33)134-140(114,115)124-22-46-40(14-52(131-46)102-28-87-59-65(102)91-74(80)95-70(59)108)137-142(118,119)126-24-48-42(16-54(133-48)104-30-89-61-67(104)93-76(82)97-72(61)110)138-143(120,121)127-23-47-41(15-53(132-47)103-29-88-60-66(103)92-75(81)96-71(60)109)136-141(116,117)125-21-45-39(13-51(130-45)100-26-85-57-62(78)83-25-84-63(57)100)135-139(112,113)123-20-43-37(105)11-49(128-43)101-27-86-58-64(101)90-73(79)94-69(58)107/h2-10,17,25-30,37-54,105H,11-16,18-24H2,1H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H2,78,83,84)(H,98,106,111)(H3,79,90,94,107)(H3,80,91,95,108)(H3,81,92,96,109)(H3,82,93,97,110)/t37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51?,52+,53+,54+/m0/s1

InChIKey

HPRHAFQGPUUOHG-IWOKLKJTSA-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-hydroxyoxolan-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-(pyren-1-ylmethoxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186581