Malvidin-3,5-diglucoside

Base Information

• Chemical Name: Malvidin-3,5-diglucoside
• CAS No.: 16727-30-3
• Molecular Formula: C29H35 O17 . Cl
• Molecular Weight: 691.04
• European Community (EC) Number: 240-785-9
• DSSTox Substance ID: DTXSID201341471
• Nikkaji Number: J293.482E
• Wikipedia: Malvin
• Wikidata: Q137532
• Metabolomics Workbench ID: 68933
• Mol file: 16727-30-3.mol

Synonyms:malvidin 3,5-diglucoside;malvin

Chemical Property of Malvidin-3,5-diglucoside

Chemical Property:

• Melting Point: 165℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 270.82000
• Density: g/cm³
• LogP: -4.82930
• Storage Temp.: −20°C
• Solubility.: Acidic Methanol (Slightly), Aqueous Base (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 9
• Exact Mass: 655.18742464
• Heavy Atom Count: 46
• Complexity: 949

Purity/Quality:

97% ^*data from raw suppliers

Malvidin 3,5-diglucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
• Uses: Malvin is one of anthocyanins that possess potent antioxidant properties.

Technology Process of Malvidin-3,5-diglucoside

There total 3 articles about Malvidin-3,5-diglucoside 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:

→ malvin chloride (16727-30-3)

Guidance literature:

With ethyl acetate; Einleiten von Chlorwasserstoff, Behandeln des Reaktionsprodukts mit wss. Natronlauge und Erwaermen der Reaktionsloesung mit wss. Salzsaeure;

DOI:10.1039/jr9320002299

Reference yield:

C29H36O18 (83554-46-5) → malvin chloride (16727-30-3)

Guidance literature:

In water-d2; at 25 ℃; Equilibrium constant; Thermodynamic data; ΔH⁰, ΔS⁰; variation of pH;

DOI:10.1016/0031-9422(93)85054-U

Reference yield:

C29H36O18 (83554-46-5) → malvin chloride (16727-30-3) + (Z)-3-[2,4-Dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-1-(4-hydroxy-3,5-dimethoxy-phenyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-propenone (83554-49-8)

Guidance literature:

In water; at 25 ℃; Rate constant; Equilibrium constant;

DOI:10.1039/a802602e

upstream raw materials:

C₂₉H₃₆O₁₈

Downstream raw materials:

hirsutrin

C₂₉H₃₆O₁₈