(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+
TL;DR: (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ (CAS 53755-56-9) is a chemical compound with molecular formula C31H36O16 and molecular weight 664.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-dihydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] acetate
Also Known As: (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+, [(2S,3R,4S,5R,6R)-4,5-Dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] acetate, [4,5-dihydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] acetate, 4,5-DIHYDROXY-2-METHYL-6-[(3,4,5-TRIHYDROXY-6-{[5-HYDROXY-6-METHOXY-2-(4-METHOXYPHENYL)-4-OXO-4H-CHROMEN-7-YL]OXY}OXAN-2-YL)METHOXY]OXAN-3-YL ACETATE
| Molecular Formula | C31H36O16 |
|---|---|
| Molecular Weight | 664.20 g/mol |
| LogP | -0.2159 |
| Topological Polar Surface Area | 233.27 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 664.2003 |
| Heavy Atoms | 47 |
| Complexity | 1622.4884 |
Chemical Identifiers
| CAS Number | 53755-56-9 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)OC(=O)C |
Product Overview
(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ (CAS 53755-56-9), with molecular formula C31H36O16 and molecular weight 664.20 g/mol. IUPAC: [4,5-dihydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] acetate.
Chemical Property Profile of (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+
Property Insights of (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+
The XLogP value of -0.2159 indicates that (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.27 Ų indicates high polarity, suggesting (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ has 6 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 (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+?
The CAS number of (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ is 53755-56-9.
What is the molecular formula of (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+?
The molecular formula of (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ is C31H36O16.
What is the molecular weight of (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+?
The molecular weight of (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ is 664.20 g/mol.
Where can I buy (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+?
You can request a quote for (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)tetrahydro-2H-pyran -3-yl acetate [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.