2-[[2-[[5-[5-[4-[1-(2-Amino-4-Oxo-1H-Pteridin-7-Yl)Ethylamino]-2,5-Dihydroxyphenyl]-2,3,4-Trihydroxypentoxy]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-5-Oxopentanoyl]Amino]Butanedioic Acid
[CAS# 135745-46-9]

Identification

• Name: 2-[[2-[[5-[5-[4-[1-(2-Amino-4-Oxo-1H-Pteridin-7-Yl)Ethylamino]-2,5-Dihydroxyphenyl]-2,3,4-Trihydroxypentoxy]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-5-Oxopentanoyl]Amino]Butanedioic Acid
• Synonyms: 2-[[2-[[5-[5-[4-[1-(2-Amino-4-Oxo-1H-Pteridin-7-Yl)Ethylamino]-2,5-Dihydroxy-Phenyl]-2,3,4-Trihydroxy-Pentoxy]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Butanedioic Acid; 2-[[2-[[5-[5-[4-[1-(2-Amino-4-Oxo-1H-Pteridin-7-Yl)Ethylamino]-2,5-Dihydroxyphenyl]-2,3,4-Trihydroxypentoxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-1,5-Dioxopentyl]Amino]Butanedioic Acid; 2-[[2-[[5-[5-[4-[1-(2-Amino-4-Keto-1H-Pteridin-7-Yl)Ethylamino]-2,5-Dihydroxy-Phenyl]-2,3,4-Trihydroxy-Pentoxy]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-5-Keto-Pentanoyl]Amino]Succinic Acid
• Molecular Formula: C₃₃H₄₄N₇O₂₁P
• Molecular Weight: 905.72
• CAS Registry Number: 135745-46-9
• SMILES: C2=C(CC(O)C(O)C(O)COC1OC(C(O)C1O)CO[P](OC(CCC(O)=O)C(=O)NC(CC(O)=O)C(O)=O)(O)=O)C(=CC(=C2O)NC(C3=CN=C4C(=N3)NC(=NC4=O)N)C)O
• InChI: 1S/C33H44N7O21P/c1-11(15-8-35-24-28(37-15)39-33(34)40-30(24)53)36-13-6-16(41)12(4-17(13)42)5-18(43)25(49)19(44)9-58-32-27(51)26(50)21(60-32)10-59-62(56,57)61-20(2-3-22(45)46)29(52)38-14(31(54)55)7-23(47)48/h4,6,8,11,14,18-21,25-27,32,36,41-44,49-51H,2-3,5,7,9-10H2,1H3,(H,38,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H3,34,37,39,40,53)
• InChIKey: RDYYPTCITXXAIS-UHFFFAOYSA-N

Properties

• Density: 1.921g/cm³ (Cal.)