phenylalanyl-5'-AMP
Basic information
- CAS
6372-09-4- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC[C@@H](N)Cc2ccccc2)[C@@H](O)[C@H]1O- InChIKey
XNEAAYNJQROQFE-BPAMBQHCSA-N- Molecular formula
- C19H25N6O7P
- Average molar mass
- 480.4 g/mol
- Monoisotopic mass
- 480.15223416
Overview
RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- phenylalanyl-5'-AMP
- IUPAC
- [(2S)-2-amino-3-phenylpropyl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- English name
- phenylalanyl-5'-AMP
- Molecular formula
- C19H25N6O7P
- Molecular weight
- 480.41
Names & synonyms
Phenylalanyl-5'-AMP6372-09-4RefChem:173008ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]FYA5'-Adenylic acid, mono(2-amino-3-phenylpropyl) ester, (S)-[(2S)-2-amino-3-phenylpropyl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateQ274604815'-O-[(R)-{[(2S)-2-amino-3-phenylpropyl]oxy}(hydroxy)phosphoryl]adenosine5'-Adenylic acid, mono[(2S)-2-amino-3-phenylpropyl] ester (9CI)
Database identifiers
- CAS
6372-09-4- PubChem CID
- 444490
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 689
Physicochemical properties
- Boiling point
- 810.2 · 810.2±75.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 1.34 · 1.34±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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