Prprprp

Structural Information

Molecular Formula

C₄₀H₅₀N₂₀O₂₂P₄S₃

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)COP(=S)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7N8C=NC9=C(N=CN=C98)N)COP(=O)(O[C@@H]1[C@@H]([C@H](O[C@H]1N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O)O)S)O)O)O)O)N

InChI

InChI=1S/C40H50N20O22P4S3/c41-29-17-33(49-5-45-29)57(9-53-17)37-25(65)21(61)13(76-37)2-73-84(69,87)81-27-23(63)15(78-39(27)59-11-55-19-31(43)47-7-51-35(19)59)4-75-86(71,89)82-28-24(64)16(79-40(28)60-12-56-20-32(44)48-8-52-36(20)60)3-74-85(70,88)80-26-22(62)14(1-72-83(66,67)68)77-38(26)58-10-54-18-30(42)46-6-50-34(18)58/h5-16,21-28,37-40,61-65H,1-4H2,(H,69,87)(H,70,88)(H,71,89)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,44,48,52)(H2,66,67,68)/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,37-,38-,39-,40-,84?,85?,86?/m1/s1

InChIKey

ILMRPMFVLGMTAW-KXBQQGOYSA-N

Compound name

[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-hydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

• CID 15955873