Adenosine pyrophosphate-glucose
[CAS# 2140-58-1]

Identification

• Name: Adenosine pyrophosphate-glucose
• Synonyms: [[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Hydrogen Phosphate; [[5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Hydrogen Phosphate; [[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl) Hydrogen Phosphate
• Molecular Formula: C₁₆H₂₅N₅O₁₅P₂
• Molecular Weight: 589.35
• CAS Registry Number: 2140-58-1
• SMILES: C1=NC4=C([N]1C3OC(CO[P](O[P](OC2OC(C(O)C(C2O)O)CO)(=O)O)(=O)O)C(C3O)O)N=CN=C4N
• InChI: 1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)
• InChIKey: WFPZSXYXPSUOPY-UHFFFAOYSA-N

Properties

• Density: 2.421g/cm³ (Cal.)
• Boiling point: 997.531°C at 760 mmHg (Cal.)
• Flash point: 557.087°C (Cal.)