Pyridoxal 5'-Diphospho-5'-Adenosine
[CAS# 4500-99-6]

Identification

• Name: Pyridoxal 5'-Diphospho-5'-Adenosine
• Synonyms: [(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [Hydroxy-[(5-Hydroxy-4-Methanoyl-6-Methyl-Pyridin-3-Yl)Methoxy]Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₂N₆O₁₂P₂
• Molecular Weight: 576.35
• CAS Registry Number: 4500-99-6
• SMILES: [N]3(C1O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OCC2=C(C(=C(N=C2)C)O)C=O)(=O)O)(=O)O)C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C18H22N6O12P2/c1-8-13(26)10(3-25)9(2-20-8)4-33-37(29,30)36-38(31,32)34-5-11-14(27)15(28)18(35-11)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)(H2,19,21,22)/t11-,14-,15-,18?/m1/s1
• InChIKey: RUIFPEPERZGNCR-HETNKJQDSA-N

Properties

• Density: 2.071g/cm³ (Cal.)
• Boiling point: 972.474°C at 760 mmHg (Cal.)
• Flash point: 541.933°C (Cal.)