Phosphoglyceroyl-adenosine triphosphate
[CAS# 124199-67-3]

Identification

• Name: Phosphoglyceroyl-adenosine triphosphate
• Synonyms: 2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxyethyl Hydrogen Carbonate; 2-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl]Oxy-Hydroxyphosphoryl]Oxyethyl Hydrogen Carbonate; 2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Oxolan-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxyethyl Hydrogen Carbonate
• Molecular Formula: C₁₃H₂₁N₅O₁₉P₄
• Molecular Weight: 675.23
• CAS Registry Number: 124199-67-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](OCCOC(=O)O)(=O)O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C13H21N5O19P4/c14-10-7-11(16-4-15-10)18(5-17-7)12-8(19)9(35-39(25,26)32-2-1-31-13(20)21)6(34-12)3-33-40(27,28)37-41(29,30)36-38(22,23)24/h4-6,8-9,12,19H,1-3H2,(H,20,21)(H,25,26)(H,27,28)(H,29,30)(H2,14,15,16)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1
• InChIKey: TZLSNZNCXRZZCL-WOUKDFQISA-N

Properties

• Density: 2.483g/cm³ (Cal.)
• Boiling point: 1073.079°C at 760 mmHg (Cal.)
• Flash point: 602.776°C (Cal.)