2-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

Base Information

• Chemical Name: 2-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
• CAS No.: 2611-67-8
• Molecular Formula: C27H31 O16 . Cl
• Molecular Weight: 646.987
• NSC Number: 81163
• Mol file: 2611-67-8.mol

Synonyms:2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride;2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride;NSC81163;LS-15189;2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1lambda-chromen-1-ylium chloride

Chemical Property of 2-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

Chemical Property:

• Appearance/Colour: Light Green Powder
• Melting Point: 203-204ºC
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 272.59000
• Density: g/cm³
• LogP: -5.14090
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 646.1300626
• Heavy Atom Count: 44
• Complexity: 899

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyanin chloride ^*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: C1=CC(=C(C=C1C2=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)O)O.[Cl-]
• Uses: Cyanin Chloride is a compound found naturally occuring in grape seeds, skin and pulp. It provides antioxidant abilities due to the phenolic group in the substructure.

Technology Process of 2-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

There total 4 articles about 2-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride 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:

bis-deacylgentiodelphin chloride (84297-58-5) → cyanidin-3,5-O-β-diglucopyranoside (2611-67-8,83327-53-1)

Guidance literature:

With hydrogenchloride; In methanol; water; at 60 ℃; for 7h;

DOI:10.1016/S0040-4039(00)88660-8

Reference yield:

gentiodelphin chloride (84331-34-0) → cyanidin-3,5-O-β-diglucopyranoside (2611-67-8,83327-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 4percent NaOH / methanol; H₂O / 0.5 h / 0 °C

2: 1.5 N HCl / methanol; H₂O / 7 h / 60 °C

With hydrogenchloride; sodium hydroxide; In methanol; water;

DOI:10.1016/S0040-4039(00)88660-8

Reference yield:

C27H32O17 → cyanidin-3,5-O-β-diglucopyranoside (2611-67-8,83327-53-1)

Guidance literature:

With water; at 25 ℃; Equilibrium constant;

DOI:10.1021/ja9535064

upstream raw materials:

bis-deacylgentiodelphin chloride

2,4-dihydroxy-6-(tetra-O-acetyl-β-D-glucopyranosyloxy)-benzaldehyde

gentiodelphin chloride

Refernces

• 1、 Goto, Toshio,Kondo, Tadao,Tamura, Hirotoshi,Imagawa, Hiroyuki. "STRUCTURE OF GENTIODELPHIN, AN ACYLATED ANTHOCYANIN ISOLATED FROM GENTIANA MAKINOI, THAT IS STABLE IN DILUTE AQUEOUS SOLUTION". . p. 3695 - 3698. Retrieved 1982.