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

Structural Information

Molecular Formula

C₇₅H₈₆N₂₇O₃₄P₅

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]9[C@H](C[C@@H](O9)N1C=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)OP(=O)(O)OC[C@H](CN1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C75H86N27O34P5/c1-36-18-100(75(110)96-64(36)104)51-15-45(48(129-51)28-121-22-39-12-13-43(122-23-37-8-4-2-5-9-37)44(14-39)123-24-38-10-6-3-7-11-38)134-140(117,118)127-30-50-47(17-53(131-50)102-35-85-58-63(102)90-74(80)95-69(58)109)136-141(119,120)128-29-49-46(16-52(130-49)101-34-84-57-62(101)89-73(79)94-68(57)108)135-139(115,116)126-27-42(21-99-33-83-56-61(99)88-72(78)93-67(56)107)133-138(113,114)125-26-41(20-98-32-82-55-60(98)87-71(77)92-66(55)106)132-137(111,112)124-25-40(103)19-97-31-81-54-59(97)86-70(76)91-65(54)105/h2-14,18,31-35,40-42,45-53,103H,15-17,19-30H2,1H3,(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,96,104,110)(H3,76,86,91,105)(H3,77,87,92,106)(H3,78,88,93,107)(H3,79,89,94,108)(H3,80,90,95,109)/t40-,41-,42-,45-,46-,47-,48+,49+,50+,51+,52+,53+/m0/s1

InChIKey

LMRVQNSOEBNXRJ-KJSRSSIPSA-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-[[(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]oxyoxolan-2-yl]methoxy-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 16133639