4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-
TL;DR: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- (CAS 83830-84-6) is a chemical compound with molecular formula C33H40O22 and molecular weight 788.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-, (IZ,Z)-di-9-octadecenyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranoside, 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 | C33H40O22 |
|---|---|
| Molecular Weight | 788.20 g/mol |
| LogP | -5.2416 |
| Topological Polar Surface Area | 368.81 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 788.2011 |
| Heavy Atoms | 55 |
| Complexity | 1867.0626 |
Chemical Identifiers
| CAS Number | 83830-84-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O |
Product Overview
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- (CAS 83830-84-6), with molecular formula C33H40O22 and molecular weight 788.20 g/mol. IUPAC: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-
Property Insights of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-
The XLogP value of -5.2416 indicates that 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 368.81 Ų indicates high polarity, suggesting 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- has 14 hydrogen bond donor(s) and 22 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, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-?
The CAS number of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- is 83830-84-6.
What is the molecular formula of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-?
The molecular formula of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- is C33H40O22.
What is the molecular weight of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-?
The molecular weight of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- is 788.20 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-?
You can request a quote for 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- 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, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.