TL;DR: Yellamycin B (CAS 119445-99-7) is a chemical compound with molecular formula C36H48N2O11 and molecular weight 684.3258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Yellamycin B, 7,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 2-ethyl-2,7,12-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)hexopyranoside, 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,8-trihydroxy-7,10-bis((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, 7,10-bis((4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)oxy)-9-ethyl-4,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C36H48N2O11 |
| Molecular Weight | 684.3258 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 684.3258 Da |
| Heavy Atoms | 49 |
| Complexity | 1210.0 |
| SMILES | CCC1(CC(C2=CC3=C(C(=C2C1OC4CC(C(C(O4)C)O)N(C)C)O)C(=O)C5=C(C3=O)C(=CC=C5)O)OC6CC(C(C(O6)C)O)N(C)C)O |
| InChIKey | LQNQZSVFAICQKC-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Yellamycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting Yellamycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yellamycin B has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Yellamycin B is 119445-99-7.
The molecular formula of Yellamycin B is C36H48N2O11.
The molecular weight of Yellamycin B is 684.3258 g/mol.
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