3,4-di(benzyloxy)benzyloxy-5'-{d(tg)-[(s)-glyceryl guaninemp]4}

Structural Information

Molecular Formula

C₇₃H₈₄N₂₇O₃₃P₅

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=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](CN9C=NC1=C9N=C(NC1=O)N)OP(=O)(O)OC[C@H](CN1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@H](CN1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@H](CN1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C73H84N27O33P5/c1-36-17-99(73(108)94-62(36)102)50-15-46(48(127-50)29-119-22-39-12-13-44(120-23-37-8-4-2-5-9-37)45(14-39)121-24-38-10-6-3-7-11-38)132-138(117,118)126-30-49-47(16-51(128-49)100-35-83-56-61(100)88-72(78)93-67(56)107)133-137(115,116)125-28-43(21-98-34-82-55-60(98)87-71(77)92-66(55)106)131-136(113,114)124-27-42(20-97-33-81-54-59(97)86-70(76)91-65(54)105)130-135(111,112)123-26-41(19-96-32-80-53-58(96)85-69(75)90-64(53)104)129-134(109,110)122-25-40(101)18-95-31-79-52-57(95)84-68(74)89-63(52)103/h2-14,17,31-35,40-43,46-51,101H,15-16,18-30H2,1H3,(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,94,102,108)(H3,74,84,89,103)(H3,75,85,90,104)(H3,76,86,91,105)(H3,77,87,92,106)(H3,78,88,93,107)/t40-,41-,42-,43-,46-,47-,48+,49+,50+,51+/m0/s1

InChIKey

FOZUIONFJPDPSJ-DQOSYVGKSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2S)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-[[(2S)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-[[(2S)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-[[(2S)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16133640