(4-benzyloxybenzyl)-5'-tgggag-3'

Structural Information

Molecular Formula

C₇₄H₈₆N₂₇O₃₅P₅

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=CC=C(C=C3)OCC4=CC=CC=C4)OP(=O)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C9N=C(NC1=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/C74H86N27O35P5/c1-32-17-96(74(108)95-65(32)103)49-12-37(43(127-49)20-119-18-34-7-9-35(10-8-34)120-19-33-5-3-2-4-6-33)132-138(111,112)122-23-45-39(14-51(129-45)99-29-84-56-62(99)88-71(77)92-67(56)105)135-140(115,116)124-25-47-41(16-53(131-47)101-31-86-58-64(101)90-73(79)94-69(58)107)136-141(117,118)125-24-46-40(15-52(130-46)100-30-85-57-63(100)89-72(78)93-68(57)106)134-139(113,114)123-22-44-38(13-50(128-44)97-27-82-54-59(75)80-26-81-60(54)97)133-137(109,110)121-21-42-36(102)11-48(126-42)98-28-83-55-61(98)87-70(76)91-66(55)104/h2-10,17,26-31,36-53,102H,11-16,18-25H2,1H3,(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H2,75,80,81)(H,95,103,108)(H3,76,87,91,104)(H3,77,88,92,105)(H3,78,89,93,106)(H3,79,90,94,107)/t36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50?,51+,52+,53+/m0/s1

InChIKey

WPVONMWLAINMKL-APKZZTQISA-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-[(4-phenylmethoxyphenyl)methoxymethyl]oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16186576