TL;DR: HY-N11894 (CAS 139742-39-5) is a chemical compound with molecular formula C28H30O15 and molecular weight 606.15845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: HY-N11894, 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside, J2.406.130B, [(2R,3S,4S,5R,6S)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl acetate, 3-[(6-O-Acetyl-2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione
| Molecular Formula | C28H30O15 |
| Molecular Weight | 606.15845 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 239.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 606.15845 Da |
| Heavy Atoms | 43 |
| Complexity | 1040.0 |
| SMILES | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O |
| InChIKey | JGCFTRKGKNECSV-ZIAPGWQOSA-N |
The XLogP value of -0.6 indicates that HY-N11894 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting HY-N11894 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, HY-N11894 has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of HY-N11894 is 139742-39-5.
The molecular formula of HY-N11894 is C28H30O15.
The molecular weight of HY-N11894 is 606.15845 g/mol.
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