5'-dbb-tgggspaspg-3'

Structural Information

Molecular Formula

C₈₁H₉₂N₂₇O₃₄P₅S₂

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)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(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(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C81H92N27O34P5S2/c1-37-21-103(81(115)102-72(37)110)56-16-44(50(133-56)25-124-22-40-12-13-42(125-23-38-8-4-2-5-9-38)43(14-40)126-24-39-10-6-3-7-11-39)138-143(116,117)127-27-51-45(17-58(134-51)106-34-91-63-69(106)95-78(84)99-74(63)112)139-144(118,119)128-28-52-46(18-59(135-52)107-35-92-64-70(107)96-79(85)100-75(64)113)140-145(120,121)129-29-53-47(20-60(136-53)108-36-93-65-71(108)97-80(86)101-76(65)114)141-147(123,149)131-30-54-48(19-57(137-54)104-32-89-61-66(82)87-31-88-67(61)104)142-146(122,148)130-26-49-41(109)15-55(132-49)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,118,119)(H,120,121)(H,122,148)(H,123,149)(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

STMYLWNHTTVSHT-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-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]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 16204668