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

Structural Information

Molecular Formula

C₇₉H₉₈N₃₈O₃₇P₈S₇

SMILES

C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=O)(OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C79H98N38O37P8S7/c80-47-1-2-110(79(121)105-47)49-4-32(41(141-49)13-134-159(128,166)153-37-9-54(116-29-103-61-73(116)106-77(86)108-75(61)119)147-46(37)18-139-161(130,168)152-35-7-52(114-27-101-59-66(84)91-22-96-71(59)114)144-43(35)15-135-158(127,165)149-33-5-50(142-40(33)12-132-155(122,123)124)112-25-99-57-64(82)89-20-94-69(57)112)148-157(126,164)138-17-45-38(10-55(146-45)117-30-104-62-74(117)107-78(87)109-76(62)120)154-162(131,169)137-16-44-36(8-53(145-44)115-28-102-60-67(85)92-23-97-72(60)115)151-160(129,167)136-14-42-34(6-51(143-42)113-26-100-58-65(83)90-21-95-70(58)113)150-156(125,163)133-11-39-31(118)3-48(140-39)111-24-98-56-63(81)88-19-93-68(56)111/h1-2,19-46,48-55,118H,3-18H2,(H,125,163)(H,126,164)(H,127,165)(H,128,166)(H,129,167)(H,130,168)(H,131,169)(H2,80,105,121)(H2,81,88,93)(H2,82,89,94)(H2,83,90,95)(H2,84,91,96)(H2,85,92,97)(H2,122,123,124)(H3,86,106,108,119)(H3,87,107,109,120)

InChIKey

VQSQOLYGVSHAND-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-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]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 16204600