8-(2,4-Dinitrophenyl-2,6-Aminohexyl)Aminoadenosine 5'-Triphosphate
[CAS# 84563-30-4]

Identification

• Name: 8-(2,4-Dinitrophenyl-2,6-Aminohexyl)Aminoadenosine 5'-Triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-[6-Amino-8-[6-[(2,4-Dinitrophenyl)Amino]Hexylamino]Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-8-[6-[(2,4-Dinitrophenyl)Amino]Hexylamino]-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-Amino-8-[6-[(2,4-Dinitrophenyl)Amino]Hexylamino]Purin-9-Yl]-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₂₂H₃₂N₉O₁₇P₃
• Molecular Weight: 787.47
• CAS Registry Number: 84563-30-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C4=C(N=C2NCCCCCCNC3=CC=C([N+]([O-])=O)C=C3[N+]([O-])=O)C(=NC=N4)N
• InChI: 1S/C22H32N9O17P3/c23-19-16-20(27-11-26-19)29(21-18(33)17(32)15(46-21)10-45-50(41,42)48-51(43,44)47-49(38,39)40)22(28-16)25-8-4-2-1-3-7-24-13-6-5-12(30(34)35)9-14(13)31(36)37/h5-6,9,11,15,17-18,21,24,32-33H,1-4,7-8,10H2,(H,25,28)(H,41,42)(H,43,44)(H2,23,26,27)(H2,38,39,40)/t15-,17-,18-,21-/m1/s1
• InChIKey: VBHXRBHWHBYBFR-QTQZEZTPSA-N

Properties

• Density: 2.095g/cm³ (Cal.)
• Boiling point: 1110.475°C at 760 mmHg (Cal.)
• Flash point: 625.393°C (Cal.)