TL;DR: Triphenylsilyl dimethylarsinoate (CAS 128988-57-8) is a chemical compound with molecular formula C33H40O21 and molecular weight 772.20624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: q-Rha-gal-glu, Triphenylsilyl dimethylarsinoate, Arsinous acid, dimethyl-, triphenylsilyl ester, Quercetin 3-O-alpha-rhamnopyranosyl(1-2)-beta-galactopyranoside-7-O-beta-glucopyranoside, 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Molecular Formula | C33H40O21 |
| Molecular Weight | 772.20624 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 345.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 772.20624 Da |
| Heavy Atoms | 54 |
| Complexity | 1320.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)CO)O)O)O)O)O |
| InChIKey | CGTJNKQXMHSGFN-UJPFCWTGSA-N |
The XLogP value of -2.5 indicates that Triphenylsilyl dimethylarsinoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.0 Ų indicates high polarity, suggesting Triphenylsilyl dimethylarsinoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triphenylsilyl dimethylarsinoate has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Triphenylsilyl dimethylarsinoate is 128988-57-8.
The molecular formula of Triphenylsilyl dimethylarsinoate is C33H40O21.
The molecular weight of Triphenylsilyl dimethylarsinoate is 772.20624 g/mol.
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