2-[[2-[[5-[5-[4-[1-(2-Amino-7-Methyl-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxypentoxy]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-5-Oxopentanoyl]Amino]Pentanedioic Acid
[CAS# 137360-17-9]

Identification

• Name: 2-[[2-[[5-[5-[4-[1-(2-Amino-7-Methyl-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxypentoxy]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-5-Oxopentanoyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[2-[[5-[5-[4-[1-(2-Amino-7-Methyl-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxy-Pentoxy]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Pentanedioic Acid; 2-[[2-[[5-[5-[4-[1-(2-Amino-7-Methyl-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxypentoxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-1,5-Dioxopentyl]Amino]Pentanedioic Acid; 2-[[2-[[5-[5-[4-[1-(2-Amino-4-Keto-7-Methyl-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxy-Pentoxy]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-5-Keto-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₃₅H₅₂N₇O₁₉P
• Molecular Weight: 905.81
• CAS Registry Number: 137360-17-9
• SMILES: C3=C(NC(C2C(NC1=C(C(N=C(N1)N)=O)N2)C)C)C=CC(=C3)CC(C(C(COC4C(C(C(CO[P](OC(C(NC(C(=O)O)CCC(=O)O)=O)CCC(=O)O)(=O)O)O4)O)O)O)O)O
• InChI: 1S/C35H52N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14-15,18-22,25,27-29,34,37,40,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H4,36,38,41,42,53)
• InChIKey: DOMRFGVDYQUXCH-UHFFFAOYSA-N

Properties

• Density: 1.782g/cm³ (Cal.)