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

Structural Information

Molecular Formula

C₈₀H₉₈N₄₀O₃₅P₈S₇

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

InChI

InChI=1S/C80H98N40O35P8S7/c81-64-56-71(96-17-89-64)113(24-103-56)48-1-32(121)40(141-48)9-134-157(126,164)150-34-3-50(115-26-105-58-66(83)91-19-98-73(58)115)143-42(34)11-136-159(128,166)151-36-5-52(117-28-107-60-68(85)93-21-100-75(60)117)145-44(36)13-137-160(129,167)152-37-6-53(118-29-108-61-69(86)94-22-101-76(61)118)146-45(37)14-138-161(130,168)153-38-7-54(119-30-109-62-70(87)95-23-102-77(62)119)147-46(38)15-139-163(132,170)155-39-8-55(120-31-110-63-78(120)111-80(88)112-79(63)122)148-47(39)16-140-162(131,169)154-35-4-51(116-27-106-59-67(84)92-20-99-74(59)116)144-43(35)12-135-158(127,165)149-33-2-49(142-41(33)10-133-156(123,124)125)114-25-104-57-65(82)90-18-97-72(57)114/h17-55,121H,1-16H2,(H,126,164)(H,127,165)(H,128,166)(H,129,167)(H,130,168)(H,131,169)(H,132,170)(H2,81,89,96)(H2,82,90,97)(H2,83,91,98)(H2,84,92,99)(H2,85,93,100)(H2,86,94,101)(H2,87,95,102)(H2,123,124,125)(H3,88,111,112,122)

InChIKey

BFMFSOYPJTXNMF-UHFFFAOYSA-N

Compound name

[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-[[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]oxyoxolan-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 16204589