2-[5-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy]-3,4-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3,5-Dihydroxy-4-Phosphonooxy-Hexanedioic Acid
[CAS# 23526-02-5]

Identification

• Name: 2-[5-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy]-3,4-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3,5-Dihydroxy-4-Phosphonooxy-Hexanedioic Acid
• Synonyms: 2-[5-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3,4-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3,5-Dihydroxy-4-Phosphonooxy-Hexanedioic Acid; 2-[[5-[[5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy]-3,4-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-4-Phosphonooxyhexanedioic Acid; 2-[5-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3,4-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3,5-Dihydroxy-4-Phosphonooxy-Adipic Acid
• Molecular Formula: C₂₂H₃₂N₅O₁₉P
• Molecular Weight: 701.49
• CAS Registry Number: 23526-02-5
• SMILES: C1=NC4=C([N]1C2OC(C(C2O)O)COC3C(C(C(OC3CO)OC(C(C(O[P](=O)(O)O)C(C(O)=O)O)O)C(O)=O)O)O)N=CN=C4N
• InChI: 1S/C22H32N5O19P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(43-19)2-42-14-5(1-28)44-22(11(32)9(14)30)45-16(21(37)38)12(33)15(13(34)20(35)36)46-47(39,40)41/h3-6,8-16,19,22,28-34H,1-2H2,(H,35,36)(H,37,38)(H2,23,24,25)(H2,39,40,41)
• InChIKey: OTLLEIBWKHEHGU-UHFFFAOYSA-N