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

Structural Information

Molecular Formula

C₇₉H₉₈N₃₈O₃₆P₈S₇

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=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C79H98N38O36P8S7/c80-48-1-2-110(79(120)107-48)50-4-33(147-156(125,163)134-15-44-37(8-54(143-44)115-29-104-61-68(85)92-23-98-74(61)115)151-159(128,166)136-14-43-35(6-52(142-43)113-27-102-59-66(83)90-21-96-72(59)113)149-155(124,162)132-11-40-32(118)3-49(139-40)111-25-100-57-64(81)88-19-94-70(57)111)42(140-50)13-133-158(127,165)150-36-7-53(114-28-103-60-67(84)91-22-97-73(60)114)145-46(36)17-137-161(130,168)153-39-10-56(117-31-106-63-76(117)108-78(87)109-77(63)119)146-47(39)18-138-160(129,167)152-38-9-55(116-30-105-62-69(86)93-24-99-75(62)116)144-45(38)16-135-157(126,164)148-34-5-51(141-41(34)12-131-154(121,122)123)112-26-101-58-65(82)89-20-95-71(58)112/h1-2,19-47,49-56,118H,3-18H2,(H,124,162)(H,125,163)(H,126,164)(H,127,165)(H,128,166)(H,129,167)(H,130,168)(H2,80,107,120)(H2,81,88,94)(H2,82,89,95)(H2,83,90,96)(H2,84,91,97)(H2,85,92,98)(H2,86,93,99)(H2,121,122,123)(H3,87,108,109,119)

InChIKey

GBKVDLOSAWTWOE-UHFFFAOYSA-N

Compound name

[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-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-(6-aminopurin-9-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 16204591