TL;DR: Chemical Compound (C22H34N4O8S) (CAS 157878-02-9) is a chemical compound with molecular formula C22H34N4O8S and molecular weight 514.2097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylsulfanylprop-2-enamide
| Molecular Formula | C22H34N4O8S |
| Molecular Weight | 514.2097 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.2097 Da |
| Heavy Atoms | 35 |
| Complexity | 868.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(OC(CC2O)N3C=CC(=NC3=O)NC(=O)C=CSC)C)O)O)N(C)C |
| InChIKey | OEIFFRHFKRNPAL-UHFFFAOYSA-N |
The XLogP value of -1.2 indicates that Chemical Compound (C22H34N4O8S) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting Chemical Compound (C22H34N4O8S) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C22H34N4O8S) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Chemical Compound (C22H34N4O8S) is 157878-02-9.
The molecular formula of Chemical Compound (C22H34N4O8S) is C22H34N4O8S.
The molecular weight of Chemical Compound (C22H34N4O8S) is 514.2097 g/mol.
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