TL;DR: 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy- (CAS 103839-18-5) 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.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside
| Molecular Formula | C28H32O17 |
| Molecular Weight | 640.16394 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 640.16394 Da |
| Heavy Atoms | 45 |
| Complexity | 1070.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C3=O)C(=CC(=C4OC)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
| InChIKey | MESCRWMETWYMMC-MSJOGEQSSA-N |
The XLogP value of -1.3 indicates that 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 275.0 Ų indicates high polarity, suggesting 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy- has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy- is 103839-18-5.
The molecular formula of 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy- is C28H32O17.
The molecular weight of 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy- is 640.16394 g/mol.
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