TL;DR: DESMOSINE (CAS 11003-57-9) is a chemical compound with molecular formula C24H40N5O8+ and molecular weight 526.28766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-6-[4-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid
Also Known As: DESMOSINE, Desmosine-d4, 2-amino-6-[4-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-1-yl]hexanoic acid, norleucine, 6-[4-(4-amino-4-carboxybutyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinio]-, 2-amino-6-[3,5-bis(3-amino-4-hydroxy-4-oxobutyl)-4-(4-amino-5-hydroxy-5-oxopentyl)pyridin-1-ium-1-yl]hexanoic acid
| Molecular Formula | C24H40N5O8+ |
| Molecular Weight | 526.28766 g/mol |
| XLogP | -10.2 |
| Topological Polar Surface Area (TPSA) | 257.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Exact Mass | 526.28766 Da |
| Heavy Atoms | 37 |
| Complexity | 721.0 |
| SMILES | C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCCC(C(=O)O)N)CCC(C(=O)O)N |
| InChIKey | VEVRNHHLCPGNDU-UHFFFAOYSA-O |
The XLogP value of -10.2 indicates that DESMOSINE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 257.0 Ų indicates high polarity, suggesting DESMOSINE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DESMOSINE has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DESMOSINE is 11003-57-9.
The molecular formula of DESMOSINE is C24H40N5O8+.
The molecular weight of DESMOSINE is 526.28766 g/mol.
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