Dttggggtt(.alpha.)

Structural Information

Molecular Formula

C₈₀H₁₀₁N₂₈O₄₉P₇S

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C80H101N28O49P7S/c1-29-13-101(77(119)97-65(29)111)49-5-33(110)42(144-49)18-142-164(135,165)157-40-12-52(104-16-32(4)68(114)100-80(104)122)146-48(40)24-141-163(133,134)156-39-11-56(108-28-88-60-64(108)92-76(84)96-72(60)118)150-47(39)23-140-162(131,132)155-38-10-55(107-27-87-59-63(107)91-75(83)95-71(59)117)149-46(38)22-139-161(129,130)154-37-9-54(106-26-86-58-62(106)90-74(82)94-70(58)116)148-45(37)21-138-160(127,128)153-36-8-53(105-25-85-57-61(105)89-73(81)93-69(57)115)147-44(36)20-137-159(125,126)152-35-7-51(103-15-31(3)67(113)99-79(103)121)145-43(35)19-136-158(123,124)151-34-6-50(143-41(34)17-109)102-14-30(2)66(112)98-78(102)120/h13-16,25-28,33-56,109-110H,5-12,17-24H2,1-4H3,(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,165)(H,97,111,119)(H,98,112,120)(H,99,113,121)(H,100,114,122)(H3,81,89,93,115)(H3,82,90,94,116)(H3,83,91,95,117)(H3,84,92,96,118)

InChIKey

YXTBPLZALRNHIX-UHFFFAOYSA-N

Compound name

[3-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16197429