TL;DR: Syringostatin A (CAS 125051-66-3) is a chemical compound with molecular formula C50H87ClN12O18 and molecular weight 1178.595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
Also Known As: Syringostatin A, 2-[(9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid, 2-((9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl)-2-hydroxyacetic acid
| Molecular Formula | C50H87ClN12O18 |
| Molecular Weight | 1178.595 g/mol |
| XLogP | -3.1 |
| Topological Polar Surface Area (TPSA) | 505.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Exact Mass | 1178.595 Da |
| Heavy Atoms | 81 |
| Complexity | 2090.0 |
| SMILES | CCCCCCCCCCCC(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CCN)CCO)CCCN)C(C)O)C(C(=O)O)O)C(CCl)O)O |
| InChIKey | SOKGGVHELUKAFO-SDYNXESYSA-N |
The XLogP value of -3.1 indicates that Syringostatin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 505.0 Ų indicates high polarity, suggesting Syringostatin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Syringostatin A has 18 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Syringostatin A is 125051-66-3.
The molecular formula of Syringostatin A is C50H87ClN12O18.
The molecular weight of Syringostatin A is 1178.595 g/mol.
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