N-Acetyl-L-phenylalanine monoanhydride with 5'-adenylic acid
[CAS# 93240-95-0]

Identification

• Name: N-Acetyl-L-phenylalanine monoanhydride with 5'-adenylic acid
• Synonyms: [[(2R,3S,4R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2S)-2-Acetamido-3-Phenyl-Propanoate; (2S)-2-Acetamido-3-Phenylpropanoic Acid [[(2R,3S,4R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hyd
• Molecular Formula: C₂₁H₂₅N₆O₉P
• Molecular Weight: 536.44
• CAS Registry Number: 93240-95-0
• SMILES: [N]3(C1O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC(=O)[C@@H](NC(=O)C)CC2=CC=CC=C2)(=O)O)C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C21H25N6O9P/c1-11(28)26-13(7-12-5-3-2-4-6-12)21(31)36-37(32,33)34-8-14-16(29)17(30)20(35-14)27-10-25-15-18(22)23-9-24-19(15)27/h2-6,9-10,13-14,16-17,20,29-30H,7-8H2,1H3,(H,26,28)(H,32,33)(H2,22,23,24)/t13-,14+,16+,17+,20?/m0/s1
• InChIKey: FFKXWHUDDARDBW-XZTLXSFZSA-N

Properties

• Density: 1.758g/cm³ (Cal.)