[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula

C₄₀H₅₀N₂₀O₂₂P₄S₃

SMILES

C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=O)(OC6CC(OC6COP(=O)(O)O)N7C=NC8=C7N=C(NC8=O)N)S)N9C=NC1=C9N=C(NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C40H50N20O22P4S3/c41-37-49-29-25(33(62)53-37)45-9-57(29)21-1-13(61)17(76-21)5-73-84(69,87)81-15-3-23(59-11-47-27-31(59)51-39(43)55-35(27)64)78-19(15)7-75-86(71,89)82-16-4-24(60-12-48-28-32(60)52-40(44)56-36(28)65)79-20(16)8-74-85(70,88)80-14-2-22(77-18(14)6-72-83(66,67)68)58-10-46-26-30(58)50-38(42)54-34(26)63/h9-24,61H,1-8H2,(H,69,87)(H,70,88)(H,71,89)(H2,66,67,68)(H3,41,49,53,62)(H3,42,50,54,63)(H3,43,51,55,64)(H3,44,52,56,65)

InChIKey

XWVLFDRTDPUZOA-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

• CID 135410935