TL;DR: Sphingofungin B (CAS 121025-45-4) is a chemical compound with molecular formula C20H39NO6 and molecular weight 389.27774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,2S,3R,4R,5S,14R)-2-amino-3,4,5,14-tetrahydroxyicos-6-enoic acid
Also Known As: Sphingofungin B, (E,2S,3R,4R,5S,14R)-2-amino-3,4,5,14-tetrahydroxyicos-6-enoic acid, 2S-amino-3R,4R,5S,14R-tetrahydroxyeicos-6E-enoic acid, 6-Eicosenoic acid, 2-amino-3,4,5,14-tetrahydroxy-, 6-Eicosenoic acid,2-amino-3,4,5,14-tetrahydroxy
| Molecular Formula | C20H39NO6 |
| Molecular Weight | 389.27774 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 389.27774 Da |
| Heavy Atoms | 27 |
| Complexity | 404.0 |
| SMILES | CCCCCC[C@H](CCCCCC/C=C/[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)O)O |
| InChIKey | UAPFYKYEEDCCTL-MXSQXUFFSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sphingofungin B. The TPSA of 144.0 Ų indicates high polarity, suggesting Sphingofungin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sphingofungin B has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sphingofungin B is 121025-45-4.
The molecular formula of Sphingofungin B is C20H39NO6.
The molecular weight of Sphingofungin B is 389.27774 g/mol.
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