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

Structural Information

Molecular Formula

C₈₀H₁₀₀N₃₄O₃₈P₈S₇

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=C(C(=O)NC1=O)C)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/C80H100N34O38P8S7/c1-33-11-107(79(118)105-77(33)116)52-4-36(46(140-52)16-133-159(128,166)151-41-9-57(113-31-103-63-69(85)91-25-97-75(63)113)145-50(41)20-136-157(126,164)148-38-6-54(141-44(38)14-130-153(120,121)122)110-28-100-60-66(82)88-22-94-72(60)110)146-155(124,162)134-18-48-40(8-56(143-48)112-30-102-62-68(84)90-24-96-74(62)112)150-158(127,165)132-15-45-37(5-53(139-45)108-12-34(2)78(117)106-80(108)119)147-156(125,163)135-19-49-42(10-58(144-49)114-32-104-64-70(86)92-26-98-76(64)114)152-160(129,167)137-17-47-39(7-55(142-47)111-29-101-61-67(83)89-23-95-73(61)111)149-154(123,161)131-13-43-35(115)3-51(138-43)109-27-99-59-65(81)87-21-93-71(59)109/h11-12,21-32,35-58,115H,3-10,13-20H2,1-2H3,(H,123,161)(H,124,162)(H,125,163)(H,126,164)(H,127,165)(H,128,166)(H,129,167)(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,105,116,118)(H,106,117,119)(H2,120,121,122)

InChIKey

SLVCEJGBUOJHBR-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204599