A* a* c a* t a* a* a* (phosphorothioate)

Structural Information

Molecular Formula

C₇₉H₉₉N₃₅O₃₇P₈S₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=O)(OC6CC(OC6COP(=O)(O)O)N7C=NC8=C(N=CN=C87)N)S)N9C=NC1=C(N=CN=C19)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C79H99N35O37P8S7/c1-33-12-108(79(118)106-77(33)116)53-6-36(146-155(124,162)134-19-48-41(11-58(143-48)114-32-104-64-70(86)92-26-98-76(64)114)151-159(128,166)136-17-46-38(8-55(141-46)111-29-101-61-67(83)89-23-95-73(61)111)148-153(122,160)130-13-42-34(115)4-51(137-42)109-27-99-59-65(81)87-21-93-71(59)109)45(139-53)16-132-158(127,165)150-40-10-57(113-31-103-63-69(85)91-25-97-75(63)113)142-47(40)18-133-154(123,161)145-35-5-52(107-3-2-50(80)105-78(107)117)138-44(35)15-131-157(126,164)149-39-9-56(112-30-102-62-68(84)90-24-96-74(62)112)144-49(39)20-135-156(125,163)147-37-7-54(140-43(37)14-129-152(119,120)121)110-28-100-60-66(82)88-22-94-72(60)110/h2-3,12,21-32,34-49,51-58,115H,4-11,13-20H2,1H3,(H,122,160)(H,123,161)(H,124,162)(H,125,163)(H,126,164)(H,127,165)(H,128,166)(H2,80,105,117)(H2,81,87,93)(H2,82,88,94)(H2,83,89,95)(H2,84,90,96)(H2,85,91,97)(H2,86,92,98)(H,106,116,118)(H2,119,120,121)

InChIKey

LIILVMBPWPSARV-UHFFFAOYSA-N

Compound name

[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

• CID 16204595