TL;DR: Rhodomycin D (CAS 117016-15-6) is a chemical compound with molecular formula C28H31NO11 and molecular weight 557.1897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Rhodomycin D, rhodomycinone D, 10-Methoxycarbonyl-13-deoxocarminomycin, D778-6, 1-Hydroxy-10-methoxycarbonyl-13-deoxocarminomycin
| Molecular Formula | C28H31NO11 |
| Molecular Weight | 557.1897 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 557.1897 Da |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O |
| InChIKey | CADJZGPRUYOSGU-QWWLYEKJSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rhodomycin D. The TPSA of 206.0 Ų indicates high polarity, suggesting Rhodomycin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rhodomycin D has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Rhodomycin D is 117016-15-6.
The molecular formula of Rhodomycin D is C28H31NO11.
The molecular weight of Rhodomycin D is 557.1897 g/mol.
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