4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-
TL;DR: 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- (CAS 73815-14-2) is a chemical compound with molecular formula C32H40O17 and molecular weight 696.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxychromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-, 2-(3,4-Dimethoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-1-benzopyran-5-yl (4xi)-6-deoxy-4-O-beta-D-glucopyranosyl-L-lyxo-hexopyranoside, 2-(3,4-Dimethoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-1-benzopyran-5-yl 6-deoxy-4-O-hexopyranosylhexopyranoside, 5-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxychromen-4-one
| Molecular Formula | C32H40O17 |
|---|---|
| Molecular Weight | 696.23 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 696.22656 |
| Heavy Atoms | 49 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 73815-14-2 |
|---|---|
| SMILES | C[C@H]1C([C@H]([C@H](C(O1)OC2=C3C(=CC(=C2OC)OC)OC(=C(C3=O)OC)C4=CC(=C(C=C4)OC)OC)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | PAJMMZMRJVANIH-VGZDEVELSA-N |
Product Overview
4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- (CAS 73815-14-2), with molecular formula C32H40O17 and molecular weight 696.23 g/mol. IUPAC: 5-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxychromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-
Property Insights of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-. The TPSA of 231.0 Ų indicates high polarity, suggesting 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-?
The CAS number of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- is 73815-14-2.
What is the molecular formula of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-?
The molecular formula of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- is C32H40O17.
What is the molecular weight of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-?
The molecular weight of 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- is 696.23 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-?
You can request a quote for 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 5-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-3,6,7-trimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.