N(6)-((6-Aminohexyl)Carbamoylmethyl)Atp
[CAS# 55860-26-9]

Identification

• Name: N(6)-((6-Aminohexyl)Carbamoylmethyl)Atp
• Synonyms: [(2R,3S,4R,5R)-5-[6-[[2-(6-Aminohexylamino)-2-Oxo-Ethyl]Amino]Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-[[2-(6-Aminohexylamino)-2-Oxoethyl]Amino]-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[6-[[2-(6-Aminohexylamino)-2-Keto-Ethyl]Amino]Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₈H₃₂N₇O₁₄P₃
• Molecular Weight: 663.41
• CAS Registry Number: 55860-26-9
• 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]2C3=C(N=C2)C(=NC=N3)NCC(=O)NCCCCCCN
• InChI: 1S/C18H32N7O14P3/c19-5-3-1-2-4-6-20-12(26)7-21-16-13-17(23-9-22-16)25(10-24-13)18-15(28)14(27)11(37-18)8-36-41(32,33)39-42(34,35)38-40(29,30)31/h9-11,14-15,18,27-28H,1-8,19H2,(H,20,26)(H,32,33)(H,34,35)(H,21,22,23)(H2,29,30,31)/t11-,14-,15-,18-/m1/s1
• InChIKey: WAQGDCOWYBRSPB-XKLVTHTNSA-N

Properties

• Density: 2.027g/cm³ (Cal.)