Oligophosphoglycerol-Atp
[CAS# 101968-93-8]

Identification

• Name: Oligophosphoglycerol-Atp
• Synonyms: 3-[[(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]Oxy-2-Hydroxy-Propanoic Acid; 3-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxypropanoic Acid; 3-[[(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]Oxy-2-Hydroxy-Propionic Acid
• Molecular Formula: C₁₃H₂₁N₅O₁₉P₄
• Molecular Weight: 675.23
• CAS Registry Number: 101968-93-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](OCC(O)C(=O)O)(=O)O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]3C2=NC=NC(=C2N=C3)N
• InChI: 1S/C13H21N5O19P4/c14-10-7-11(16-3-15-10)18(4-17-7)12-8(20)9(35-39(26,27)32-1-5(19)13(21)22)6(34-12)2-33-40(28,29)37-41(30,31)36-38(23,24)25/h3-6,8-9,12,19-20H,1-2H2,(H,21,22)(H,26,27)(H,28,29)(H,30,31)(H2,14,15,16)(H2,23,24,25)/t5?,6-,8-,9-,12-/m1/s1
• InChIKey: BVGPWHMILIFADE-NRJACJQQSA-N

Properties

• Density: 2.57g/cm³ (Cal.)
• Boiling point: 1120.277°C at 760 mmHg (Cal.)
• Flash point: 631.321°C (Cal.)