2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
• CAS No.: 11013-97-1
• Molecular Formula: C29H36O15
• Molecular Weight: 624.65
• Hs Code.: 29389090
• European Community (EC) Number: 600-945-4
• DSSTox Substance ID: DTXSID00860085
• Wikidata: Q110202407
• Mol file: 11013-97-1.mol

Synonyms:methyl hesperidin;methylhesperidin

Chemical Property of 2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Chemical Property:

• Appearance/Colour: Yellow to Light yellow crystalline pwoder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 900.4 °C at 760 mmHg
• Flash Point: 293 °C
• PSA: 223.29000
• Density: 1.58 g/cm³
• LogP: -0.85360
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Pyridine (Slightly), Water (Slightly)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 624.20542044
• Heavy Atom Count: 44
• Complexity: 956

Purity/Quality:

99% ^*data from raw suppliers

Methyl hesperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O
• Uses: Methylated Hesperidin inhibits the phosphorylation of Akt and PKC pathway thus reducing TNF-alpha-induced VCAM-1 expression. Methylhesperidin inhibits nitrendipine transport in the ileum and jejunum, but not in the duodenum.