TL;DR: dechromose-A chrommycin A3 (CAS 120382-03-8) is a chemical compound with molecular formula C50H70O23 and molecular weight 1038.4308 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] acetate
Also Known As: CRA-B, Dechromose-A chrommycin A3, 2-[(4-chlorophenoxy)-phenacylphosphoryl]-1-phenylethanone, [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] acetate, [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4
| Molecular Formula | C50H70O23 |
| Molecular Weight | 1038.4308 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 332.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 17 |
| Exact Mass | 1038.4308 Da |
| Heavy Atoms | 73 |
| Complexity | 1910.0 |
| SMILES | CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)O)OC(=O)C)O)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)OC(=O)C)(C)O)O |
| InChIKey | HUKOAMMQHCNVFM-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dechromose-A chrommycin A3. The TPSA of 332.0 Ų indicates high polarity, suggesting dechromose-A chrommycin A3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dechromose-A chrommycin A3 has 8 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of dechromose-A chrommycin A3 is 120382-03-8.
The molecular formula of dechromose-A chrommycin A3 is C50H70O23.
The molecular weight of dechromose-A chrommycin A3 is 1038.4308 g/mol.
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