(9-phenyl-9h-xanthen-9-yl)-5'-tgggag-3'

Structural Information

Molecular Formula

C₇₉H₈₆N₂₇O₃₅P₅

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC3(C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6)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/C79H86N27O35P5/c1-34-21-101(78(113)100-69(34)108)53-16-41(47(132-53)22-124-79(35-9-3-2-4-10-35)36-11-5-7-13-39(36)130-40-14-8-6-12-37(40)79)137-143(116,117)126-25-49-43(18-55(134-49)104-31-89-60-66(104)93-75(82)97-71(60)110)140-145(120,121)128-27-51-45(20-57(136-51)106-33-91-62-68(106)95-77(84)99-73(62)112)141-146(122,123)129-26-50-44(19-56(135-50)105-32-90-61-67(105)94-76(83)98-72(61)111)139-144(118,119)127-24-48-42(17-54(133-48)102-29-87-58-63(80)85-28-86-64(58)102)138-142(114,115)125-23-46-38(107)15-52(131-46)103-30-88-59-65(103)92-74(81)96-70(59)109/h2-14,21,28-33,38,41-57,107H,15-20,22-27H2,1H3,(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H2,80,85,86)(H,100,108,113)(H3,81,92,96,109)(H3,82,93,97,110)(H3,83,94,98,111)(H3,84,95,99,112)/t38-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54?,55+,56+,57+/m0/s1

InChIKey

NEHZDMGEHPGIHM-GSYAISTLSA-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-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186572