5'-dbb-tgspgspgspaspg-3'

Structural Information

Molecular Formula

C₈₁H₉₂N₂₇O₃₂P₅S₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COCC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C81H92N27O32P5S4/c1-37-21-103(81(115)102-72(37)110)56-16-44(50(131-56)25-122-22-40-12-13-42(123-23-38-8-4-2-5-9-38)43(14-40)124-24-39-10-6-3-7-11-39)136-141(116,117)125-27-51-45(18-58(132-51)106-34-91-63-69(106)95-78(84)99-74(63)112)137-143(119,147)128-29-53-47(19-59(134-53)107-35-92-64-70(107)96-79(85)100-75(64)113)140-145(121,149)129-30-54-48(20-60(135-54)108-36-93-65-71(108)97-80(86)101-76(65)114)139-144(120,148)127-28-52-46(17-57(133-52)104-32-89-61-66(82)87-31-88-67(61)104)138-142(118,146)126-26-49-41(109)15-55(130-49)105-33-90-62-68(105)94-77(83)98-73(62)111/h2-14,21,31-36,41,44-60,109H,15-20,22-30H2,1H3,(H,116,117)(H,118,146)(H,119,147)(H,120,148)(H,121,149)(H2,82,87,88)(H,102,110,115)(H3,83,94,98,111)(H3,84,95,99,112)(H3,85,96,100,113)(H3,86,97,101,114)

InChIKey

BKMZZMYGYDJOEY-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methyl [2-[[3,4-bis(phenylmethoxy)phenyl]methoxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16197634