Adenosine triphosphate-1-aminonaphthalene-5-sulfonic acid
[CAS# 66492-86-2]

Identification

• Name: Adenosine triphosphate-1-aminonaphthalene-5-sulfonic acid
• Synonyms: 5-[[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Naphthalene-1-Sulfonic Acid; 5-[[[[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Amino]-1-Naphthalenesulfonic Acid; 5-[[[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Naphthalene-1-Sulfonic Acid
• Molecular Formula: C₂₀H₂₃N₆O₁₅P₃S
• Molecular Weight: 712.41
• CAS Registry Number: 66492-86-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)NC2=CC=CC3=C([S](=O)(=O)O)C=CC=C23)(=O)O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C20H23N6O15P3S/c21-18-15-19(23-8-22-18)26(9-24-15)20-17(28)16(27)13(39-20)7-38-43(31,32)41-44(33,34)40-42(29,30)25-12-5-1-4-11-10(12)3-2-6-14(11)45(35,36)37/h1-6,8-9,13,16-17,20,27-28H,7H2,(H,31,32)(H,33,34)(H2,21,22,23)(H2,25,29,30)(H,35,36,37)/t13-,16-,17-,20-/m1/s1
• InChIKey: IVVJOUNYPZPCPK-AEVYOOLXSA-N

Properties

• Density: 2.223g/cm³ (Cal.)