Disodium 5'-O-(hydroxy{[({[1-(2-nitrophenyl)ethoxy]phosphinato}oxy)phosphinato]oxy}phosphoryl)adenosine
[CAS# 171800-68-3]

Identification

• Name: Disodium 5'-O-(hydroxy{[({[1-(2-nitrophenyl)ethoxy]phosphinato}oxy)phosphinato]oxy}phosphoryl)adenosine
• Synonyms: Adenosine 5′-triphosphate γ-(1-[2-nitrophenyl]ethyl) ester sodium salt; Adenosine 5'-triphosphate P3-[1-(2-nitrophenyl)ethyl ester] disodium salt; Caged ATP
• Molecular Formula: C₁₈H₂₁N₆Na₂O₁₅P₃
• Molecular Weight: 700.29
• CAS Registry Number: 171800-68-3
• SMILES: [Na+].[Na+].[O-][N+](=O)c1ccccc1C(OP([O-])(=O)OP([O-])(=O)OP(=O)(O)OC[C@H]4O[C@@H](n3cnc2c(ncnc23)N)[C@H](O)[C@@H]4O)C
• InChI: 1S/C18H23N6O15P3.2Na/c1-9(10-4-2-3-5-11(10)24(27)28)37-41(31,32)39-42(33,34)38-40(29,30)35-6-12-14(25)15(26)18(36-12)23-8-22-13-16(19)20-7-21-17(13)23;;/h2-5,7-9,12,14-15,18,25-26H,6H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H2,19,20,21);;/q;2*+1/p-2/t9?,12-,14-,15-,18-;;/m1../s1
• InChIKey: DWGOHIKVVKFGGU-DZHDPEGHSA-L

Properties

• Refractive index: (Cal.)