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

Structural Information

Molecular Formula

C₈₀H₉₉N₃₇O₃₆P₈S₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(O)O)N5C=NC6=C(N=CN=C65)N)N7C=NC8=C(N=CN=C87)N)OP(=S)(O)OCC9C(CC(O9)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(=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)S

InChI

InChI=1S/C80H99N37O36P8S7/c1-33-10-110(80(120)109-79(33)119)51-3-35(44(140-51)13-133-158(127,165)150-38-6-54(114-29-105-61-68(84)91-22-98-75(61)114)144-47(38)16-135-157(126,164)148-36-4-52(141-43(36)12-131-154(121,122)123)112-27-103-59-66(82)89-20-96-73(59)112)147-156(125,163)134-15-46-39(7-55(143-46)115-30-106-62-69(85)92-23-99-76(62)115)151-160(129,167)137-18-49-41(9-57(146-49)117-32-108-64-71(87)94-25-101-78(64)117)153-161(130,168)138-17-48-40(8-56(145-48)116-31-107-63-70(86)93-24-100-77(63)116)152-159(128,166)136-14-45-37(5-53(142-45)113-28-104-60-67(83)90-21-97-74(60)113)149-155(124,162)132-11-42-34(118)2-50(139-42)111-26-102-58-65(81)88-19-95-72(58)111/h10,19-32,34-57,118H,2-9,11-18H2,1H3,(H,124,162)(H,125,163)(H,126,164)(H,127,165)(H,128,166)(H,129,167)(H,130,168)(H2,81,88,95)(H2,82,89,96)(H2,83,90,97)(H2,84,91,98)(H2,85,92,99)(H2,86,93,100)(H2,87,94,101)(H,109,119,120)(H2,121,122,123)

InChIKey

DKSWSCYIEULDIB-UHFFFAOYSA-N

Compound name

[5-(6-aminopurin-9-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-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-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]methyl dihydrogen phosphate

Related CIDs

• CID 16204596