4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-
TL;DR: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- (CAS 78134-93-7) is a chemical compound with molecular formula C27H30O16 and molecular weight 610.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-, 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-beta-D-mannopyranosyl-beta-D-glucopyranoside
| Molecular Formula | C27H30O16 |
|---|---|
| Molecular Weight | 610.15 g/mol |
| LogP | -2.4203 |
| Topological Polar Surface Area | 269.43 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 610.1534 |
| Heavy Atoms | 43 |
| Complexity | 1487.0695 |
Chemical Identifiers
| CAS Number | 78134-93-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O |
Product Overview
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- (CAS 78134-93-7), with molecular formula C27H30O16 and molecular weight 610.15 g/mol. IUPAC: 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-
Property Insights of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-
The XLogP value of -2.4203 indicates that 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 269.43 Ų indicates high polarity, suggesting 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- has 10 hydrogen bond donor(s) and 16 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, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-?
The CAS number of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- is 78134-93-7.
What is the molecular formula of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-?
The molecular formula of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- is C27H30O16.
What is the molecular weight of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-?
The molecular weight of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- is 610.15 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-?
You can request a quote for 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- 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, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.