TL;DR: Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine (CAS 148832-06-8) is a chemical compound with molecular formula C21H33N5O15P2 and molecular weight 657.14484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid
Also Known As: Asptpsa, Ala-ser(P)-tyr(P)-ser-ala, Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine, (2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid, L-Alanine,L-alanyl-O-phosphono-L-seryl-O-phosphono-L-tyrosyl-L-seryl- (9CI)
| Molecular Formula | C21H33N5O15P2 |
| Molecular Weight | 657.14484 g/mol |
| XLogP | -14.1 |
| Topological Polar Surface Area (TPSA) | 375.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Exact Mass | 657.14484 Da |
| Heavy Atoms | 43 |
| Complexity | 1150.0 |
| SMILES | C[C@@H](C(=O)C([C@@](C(=O)[C@H](CO)N)(C(=O)O)N(C(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)P(=O)(O)O)P(=O)(O)O)N |
| InChIKey | CUNARXCTGFYKJV-NIHGWDQDSA-N |
The XLogP value of -14.1 indicates that Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 375.0 Ų indicates high polarity, suggesting Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine is 148832-06-8.
The molecular formula of Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine is C21H33N5O15P2.
The molecular weight of Alanyl-phosphoseryl-phosphotyrosyl-seryl-alanine is 657.14484 g/mol.
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