4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-
TL;DR: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- (CAS 77139-23-2) is a chemical compound with molecular formula C28H32O17 and molecular weight 640.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(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-methoxychromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-6-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranoside, 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-6-yl 2-O-hexopyranosylhexopyranoside, 6-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one, 6-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,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
| Molecular Formula | C28H32O17 |
|---|---|
| Molecular Weight | 640.16 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.16394 |
| Heavy Atoms | 45 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 77139-23-2 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O |
| InChIKey | NZZVKCWBVUOTBN-BHECJLDLSA-N |
Product Overview
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- (CAS 77139-23-2), with molecular formula C28H32O17 and molecular weight 640.16 g/mol. IUPAC: 6-[(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-methoxychromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-
Property Insights of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-
The XLogP value of -1.1 indicates that 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-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, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- has 10 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, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-?
The CAS number of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- is 77139-23-2.
What is the molecular formula of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-?
The molecular formula of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- is C28H32O17.
What is the molecular weight of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-?
The molecular weight of 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- is 640.16 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-?
You can request a quote for 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- 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)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.