2'-O-galloylhyperin

Base Information

• Chemical Name: 2'-O-galloylhyperin
• CAS No.: 53209-27-1
• Deprecated CAS: 53745-13-4,56552-82-0
• Molecular Formula: C₂₈H₂₄O₁₆
• Molecular Weight: 616.489
• Hs Code.: 29389090
• DSSTox Substance ID: DTXSID50971993
• Nikkaji Number: J501.087J
• Wikidata: Q82955685
• Metabolomics Workbench ID: 140287
• ChEMBL ID: CHEMBL505880
• Mol file: 53209-27-1.mol

Synonyms:2''-galloylhyperin

Chemical Property of 2'-O-galloylhyperin

Chemical Property:

• Boiling Point: 1106.9 °C at 760 mmHg
• PKA: 6.17±0.40(Predicted)
• Flash Point: 365.6 °C
• PSA: 277.27000
• Density: 1.94 g/cm³
• LogP: 0.44260
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 616.10643467
• Heavy Atom Count: 44
• Complexity: 1070

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Quercetin3-β-galactoside-2?-O-gallate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=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)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O

Technology Process of 2'-O-galloylhyperin

There total 1 articles about 2'-O-galloylhyperin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

C70H60O16 → quercetin-3-O-(2’’-O-galloyl)-β-D-glucopyranoside (53209-27-1,69624-79-9)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In ethyl acetate; at 20 ℃; for 6h;

DOI:10.1021/acs.jnatprod.6b00274

Reference yield:

quercetin-3-O-(2″-O-galloyl)-β-galactopyranoside (53209-27-1,69624-79-9) → Hyperoside (482-36-0) + 3,4,5-trihydroxybenzoic acid (149-91-7)

Guidance literature:

With tannase; In water; at 37 ℃; for 2h;

DOI:10.1016/0031-9422(89)80060-3

Downstream raw materials:

Hyperoside

3,4,5-trihydroxybenzoic acid

Refernces