Adenosine triphosphate-gamma amidate
[CAS# 58430-80-1]

Identification

• Name: Adenosine triphosphate-gamma amidate
• Synonyms: [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxyphosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxyphosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxyphosphonamidic Acid
• Molecular Formula: C₁₀H₁₇N₆O₁₂P₃
• Molecular Weight: 506.20
• CAS Registry Number: 58430-80-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)N)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C10H17N6O12P3/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(26-10)1-25-30(21,22)28-31(23,24)27-29(12,19)20/h2-4,6-7,10,17-18H,1H2,(H,21,22)(H,23,24)(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
• InChIKey: FCPWHIOZHGINMV-KQYNXXCUSA-N

Properties

• Density: 2.638g/cm³ (Cal.)
• Boiling point: 931.352°C at 760 mmHg (Cal.)
• Flash point: 517.063°C (Cal.)