TL;DR: 2'-C-Methyldaunomycin (CAS 127860-18-8) is a chemical compound with molecular formula C28H32ClNO10 and molecular weight 577.17145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-acetyl-7-(4-amino-5-hydroxy-3,6-dimethyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 2'-Methyldaunomycin, 2'-C-Methyldaunomycin, 2'-C-Methyldaunorubicin, 2/'-C-Methyldaunomycin, Antimony,compd. with titanium (2:1)
| Molecular Formula | C28H32ClNO10 |
| Molecular Weight | 577.17145 g/mol |
| XLogP | 1.6967 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 577.17145 Da |
| Heavy Atoms | 40 |
| Complexity | 991.0 |
| SMILES | CC1C(C(C(OC1OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)C)O)N.Cl |
| InChIKey | LQZCEOUZGVKWCU-UHFFFAOYSA-N |
The XLogP value of 1.6967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-C-Methyldaunomycin. The TPSA of 186.0 Ų indicates high polarity, suggesting 2'-C-Methyldaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-C-Methyldaunomycin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-C-Methyldaunomycin is 127860-18-8.
The molecular formula of 2'-C-Methyldaunomycin is C28H32ClNO10.
The molecular weight of 2'-C-Methyldaunomycin is 577.17145 g/mol.
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