Iqp0410 & isis 5320

Structural Information

Molecular Formula

C₈₀H₁₀₀N₂₈O₄₄P₈S₈

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9CO[P+](=O)[S-])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/C80H100N28O44P8S8/c1-29-13-101(77(118)97-65(29)110)49-5-33(109)41(138-49)18-131-154(123,162)147-35-7-51(103-15-31(3)67(112)99-79(103)120)140-43(35)20-133-157(126,165)149-37-9-53(105-25-85-57-61(105)89-73(81)93-69(57)114)143-46(37)22-135-159(128,167)151-39-11-55(107-27-87-59-63(107)91-75(83)95-71(59)116)145-48(39)24-137-160(129,168)152-40-12-56(108-28-88-60-64(108)92-76(84)96-72(60)117)144-47(40)23-136-158(127,166)150-38-10-54(106-26-86-58-62(106)90-74(82)94-70(58)115)142-45(38)21-134-156(125,164)148-36-8-52(104-16-32(4)68(113)100-80(104)121)141-44(36)19-132-155(124,163)146-34-6-50(139-42(34)17-130-153(122)161)102-14-30(2)66(111)98-78(102)119/h13-16,25-28,33-56,109H,5-12,17-24H2,1-4H3,(H,123,162)(H,124,163)(H,125,164)(H,126,165)(H,127,166)(H,128,167)(H,129,168)(H,97,110,118)(H,98,111,119)(H,99,112,120)(H,100,113,121)(H3,81,89,93,114)(H3,82,90,94,115)(H3,83,91,95,116)(H3,84,92,96,117)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,154?,155?,156?,157?,158?,159?,160?/m0/s1

InChIKey

CJTXOWFJPLCGQO-SYZDRKSMSA-N

Compound name

[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(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-[[(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-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-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]phosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-sulfidophosphanium

Related CIDs

• CID 16130431