Adenosine triphosphate gamma-(N-(2-chloroethyl)-N-methyl)amide
[CAS# 90906-29-9]

Identification

• Name: Adenosine triphosphate gamma-(N-(2-chloroethyl)-N-methyl)amide
• Synonyms: [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-(2-Chloroethyl)-N-Methyl-Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy
• Molecular Formula: C₁₃H₂₂ClN₆O₁₂P₃
• Molecular Weight: 582.72
• CAS Registry Number: 90906-29-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)N(CCCl)C)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C13H22ClN6O12P3/c1-19(3-2-14)33(23,24)31-35(27,28)32-34(25,26)29-4-7-9(21)10(22)13(30-7)20-6-18-8-11(15)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
• InChIKey: AKGHJVKNYSFKIC-QYVSTXNMSA-N

Properties

• Density: 2.22g/cm³ (Cal.)
• Boiling point: 894.763°C at 760 mmHg (Cal.)
• Flash point: 494.935°C (Cal.)