Phenylalanyl adenylate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-phenylpropanoate
Also Known As: Phenylalanyl adenylate|Phe-pA|phenylalanyladenylate|Phe-O-AMP|ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]|L-Phenylalanine 5 -adenylyl ester|[5']Adenylsaeure-L-phenylalanin-anhydrid|5 -Adenylic acid phenylalanine anhydride|J1.163.376E|L-Phenylalanine, monoanhydride with 5'-adenylic acid|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-phenylpropanoate|5'-o-[{[(2s)-2-amino-3-phenylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine|5 -Adenylic acid (2S)-2-amino-3-phenylpropanoyl ester|5 -O-[Hydroxy[(L-phenylalanyl)oxy]phosphinyl]adenosine|(S)-2-amino-3-phenylpropanoic (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride|FA5|5'-O-[(S)-{[(2S)-2-amino-3-phenylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine|{[(2S)-2-amino-3-phenylpropanoyl]oxy}({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid|9-(5-O-{[(2-Amino-3-phenylpropanoyl)oxy](hydroxy)phosphoryl}pentofuranosyl)-9H-purin-6-amine
| Molecular Formula | C19H23N6O8P |
|---|---|
| Molecular Weight | 494.1315 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.1315 |
| Monoisotopic Mass | 494.1315 |
| Heavy Atoms | 34 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 40641-03-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)N |
| InChIKey | ZFNOOEXYTZPIQS-URQYDQELSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylalanyl adenylate (CAS 40641-03-0), with molecular formula C19H23N6O8P and molecular weight 494.1315 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-phenylpropanoate.