TL;DR: rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside (CAS 137830-19-4) is a chemical compound with molecular formula C28H32O17 and molecular weight 640.16394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Also Known As: RH-Mpap, Rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside, J2.429.791H, 3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-((2-O-beta-D-mannopyranosyl-beta-D-allopyranosyl)oxy)-7-methoxy-4H-1-benzopyran-4-one
| Molecular Formula | C28H32O17 |
| Molecular Weight | 640.16394 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.16394 Da |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
| SMILES | COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O |
| InChIKey | CEZKIFXYWPTANH-ZJFPABROSA-N |
The XLogP value of -0.9 indicates that rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 275.0 Ų indicates high polarity, suggesting rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside is 137830-19-4.
The molecular formula of rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside is C28H32O17.
The molecular weight of rhamnetin-3-O-(2''-O-mannopyranosyl)allopyranoside is 640.16394 g/mol.
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