A* a* g a g a* a* a* (phosphorothioate)

Structural Information

Molecular Formula

C₈₀H₉₈N₄₀O₃₆P₈S₇

SMILES

C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=O)(OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C80H98N40O36P8S7/c81-63-55-69(95-17-89-63)113(23-101-55)47-1-31(121)39(142-47)9-135-158(127,165)151-33-3-49(115-25-103-57-65(83)91-19-97-71(57)115)144-41(33)11-137-160(129,167)152-35-5-51(117-27-105-59-67(85)93-21-99-73(59)117)146-43(35)13-138-163(132,170)155-38-8-54(120-30-108-62-76(120)110-80(88)112-78(62)123)149-46(38)16-141-162(131,169)154-36-6-52(118-28-106-60-68(86)94-22-100-74(60)118)147-44(36)14-139-164(133,171)156-37-7-53(119-29-107-61-75(119)109-79(87)111-77(61)122)148-45(37)15-140-161(130,168)153-34-4-50(116-26-104-58-66(84)92-20-98-72(58)116)145-42(34)12-136-159(128,166)150-32-2-48(143-40(32)10-134-157(124,125)126)114-24-102-56-64(82)90-18-96-70(56)114/h17-54,121H,1-16H2,(H,127,165)(H,128,166)(H,129,167)(H,130,168)(H,131,169)(H,132,170)(H,133,171)(H2,81,89,95)(H2,82,90,96)(H2,83,91,97)(H2,84,92,98)(H2,85,93,99)(H2,86,94,100)(H2,124,125,126)(H3,87,109,111,122)(H3,88,110,112,123)

InChIKey

JDIVFXHCPPXXMJ-UHFFFAOYSA-N

Compound name

[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

• CID 16204590