Adenosine 5'-triphosphate 2',3',-dialdehyde
[CAS# 54970-91-1]

Identification

• Name: Adenosine 5'-triphosphate 2',3',-dialdehyde
• Synonyms: [(2R)-2-[(1R)-1-(6-Aminopurin-9-Yl)-2-Oxo-Ethoxy]-3-Oxo-Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R)-2-[(1R)-1-(6-Amino-9-Purinyl)-2-Oxoethoxy]-3-Oxopropyl] (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R)-2-[(1R)-1-(6-Aminopurin-9-Yl)-2-Keto-Ethoxy]-3-Keto-Propyl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₄N₅O₁₃P₃
• Molecular Weight: 505.17
• CAS Registry Number: 54970-91-1
• SMILES: [C@H](O[C@H](CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)C=O)([N]1C2=C(N=C1)C(=NC=N2)N)C=O
• InChI: 1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1
• InChIKey: ZOSTZYMLOPBGQI-NKWVEPMBSA-N

Properties

• Density: 2.287g/cm³ (Cal.)
• Boiling point: 827.39°C at 760 mmHg (Cal.)
• Flash point: 454.189°C (Cal.)