3,4-di(benzyloxy)benzyloxy-5'-{d(t)-[(s)-glyceryl guaninemp]5}

Structural Information

Molecular Formula

C₇₁H₈₂N₂₇O₃₂P₅

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](CN6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OC[C@H](CN8C=NC9=C8N=C(NC9=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/C71H82N27O32P5/c1-36-16-98(71(106)92-60(36)100)49-15-47(48(125-49)30-117-22-39-12-13-45(118-23-37-8-4-2-5-9-37)46(14-39)119-24-38-10-6-3-7-11-38)130-135(115,116)124-29-44(21-97-35-81-54-59(97)86-70(76)91-65(54)105)129-134(113,114)123-28-43(20-96-34-80-53-58(96)85-69(75)90-64(53)104)128-133(111,112)122-27-42(19-95-33-79-52-57(95)84-68(74)89-63(52)103)127-132(109,110)121-26-41(18-94-32-78-51-56(94)83-67(73)88-62(51)102)126-131(107,108)120-25-40(99)17-93-31-77-50-55(93)82-66(72)87-61(50)101/h2-14,16,31-35,40-44,47-49,99H,15,17-30H2,1H3,(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,92,100,106)(H3,72,82,87,101)(H3,73,83,88,102)(H3,74,84,89,103)(H3,75,85,90,104)(H3,76,86,91,105)/t40-,41-,42-,43-,44-,47-,48+,49+/m0/s1

InChIKey

WIXOTMKDMZURJL-BTMKLCJYSA-N

Compound name

[(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-[[(2S)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropyl] [(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 16133641