TL;DR: Davunetide (CAS 132031-50-6) is a chemical compound with molecular formula C36H60N10O12 and molecular weight 824.4392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Also Known As: Davunetide, NAP peptide, Davunetida, davunetidum, NAPVSIPQ peptide
| Molecular Formula | C36H60N10O12 |
| Molecular Weight | 824.4392 g/mol |
| XLogP | -5.6 |
| Topological Polar Surface Area (TPSA) | 356.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 824.4392 Da |
| Heavy Atoms | 58 |
| Complexity | 1560.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)N |
| InChIKey | DWLTUUXCVGVRAV-XWRHUKJGSA-N |
The XLogP value of -5.6 indicates that Davunetide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 356.0 Ų indicates high polarity, suggesting Davunetide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Davunetide has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Davunetide is 132031-50-6.
The molecular formula of Davunetide is C36H60N10O12.
The molecular weight of Davunetide is 824.4392 g/mol.
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