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

Structural Information

Molecular Formula

C₇₉H₉₈N₃₈O₃₅P₈S₇

SMILES

C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OC4CC(OC4COP(=O)(OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)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)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C79H98N38O35P8S7/c80-49-1-2-110(79(119)109-49)51-4-34(43(139-51)13-132-157(126,164)149-37-7-54(114-29-105-61-68(84)91-22-98-75(61)114)143-46(37)16-134-156(125,163)147-35-5-52(140-42(35)12-130-153(120,121)122)112-27-103-59-66(82)89-20-96-73(59)112)146-155(124,162)133-15-45-38(8-55(142-45)115-30-106-62-69(85)92-23-99-76(62)115)150-159(128,166)136-18-48-40(10-57(145-48)117-32-108-64-71(87)94-25-101-78(64)117)152-160(129,167)137-17-47-39(9-56(144-47)116-31-107-63-70(86)93-24-100-77(63)116)151-158(127,165)135-14-44-36(6-53(141-44)113-28-104-60-67(83)90-21-97-74(60)113)148-154(123,161)131-11-41-33(118)3-50(138-41)111-26-102-58-65(81)88-19-95-72(58)111/h1-2,19-48,50-57,118H,3-18H2,(H,123,161)(H,124,162)(H,125,163)(H,126,164)(H,127,165)(H,128,166)(H,129,167)(H2,80,109,119)(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)(H2,120,121,122)

InChIKey

JESPYWOBZPTDLS-UHFFFAOYSA-N

Compound name

[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-[[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]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]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 16204593