TL;DR: Carubicin (CAS 50935-04-1) is a chemical compound with molecular formula C26H27NO10 and molecular weight 513.1635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,9S)-9-acetyl-7-[(4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Carubicin, Karminomitsin, Carminomycin I, Carminomycin, Carminomicin I
| Molecular Formula | C26H27NO10 |
| Molecular Weight | 513.1635 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 513.1635 Da |
| Heavy Atoms | 37 |
| Complexity | 944.0 |
| SMILES | C[C@H]1[C@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O |
| InChIKey | XREUEWVEMYWFFA-LMCHYIQISA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carubicin. The TPSA of 197.0 Ų indicates high polarity, suggesting Carubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carubicin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carubicin is 50935-04-1.
The molecular formula of Carubicin is C26H27NO10.
The molecular weight of Carubicin is 513.1635 g/mol.
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