Adenosine Triphosphopyridoxal
[CAS# 101418-63-7]

Identification

• Name: Adenosine Triphosphopyridoxal
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [Hydroxy-[Hydroxy-[(5-Hydroxy-4-Methanoyl-6-Methyl-Pyridin-3-Yl)Methoxy]Phosphoryl]Oxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₃N₆O₁₅P₃
• Molecular Weight: 656.33
• CAS Registry Number: 101418-63-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](OCC2=C(C(=C(N=C2)C)O)C=O)(=O)O)(=O)O)(=O)O)[N]4C3=NC=NC(=C3N=C4)N
• InChI: 1S/C18H23N6O15P3/c1-8-13(26)10(3-25)9(2-20-8)4-35-40(29,30)38-42(33,34)39-41(31,32)36-5-11-14(27)15(28)18(37-11)24-7-23-12-16(19)21-6-22-17(12)24/h2-3,6-7,11,14-15,18,26-28H,4-5H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
• InChIKey: DGTZIRGKHKQBEL-XKLVTHTNSA-N

Properties

• Density: 2.191g/cm³ (Cal.)
• Boiling point: 1040.451°C at 760 mmHg (Cal.)
• Flash point: 583.044°C (Cal.)