1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

Base Information

• Chemical Name: 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
• CAS No.: 7659-95-2
• Molecular Formula: C₂₄H₂₆N₂O₁₃
• Molecular Weight: 550.476
• Hs Code.: 32041200
• Wikidata: Q110078115
• Mol file: 7659-95-2.mol

Synonyms:1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate;1-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate;(E)-1-((E)-2-(2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene)-6-hydroxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)indolinium-2-carboxylate;FT-0622898;FT-0700006

Chemical Property of 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

Chemical Property:

• Appearance/Colour: Red to purple paste or powder
• Boiling Point: 983.5 °C at 760 mmHg
• PKA: -2.27±0.40(Predicted)
• Flash Point: 548.6 °C
• PSA: 249.38000
• Density: 1.81 g/cm³
• LogP: -3.41070
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Water (Slightly)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 550.14348889
• Heavy Atom Count: 39
• Complexity: 1070

Purity/Quality:

99% ^*data from raw suppliers

Betanin (Red Beet extract diluted with Dextrin) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-25-24

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O
• Uses: Betanin is a glycosidic, indoline pigment that derives from red beets. Betanin has been used as a building block for chemical synthesis, as a food additive, and in analytical, material, and biological studies. This same product was formerly listed as CDS000584, offered red beet extract diluted with dextrin. Betanin is susceptible to degradation in light and elevated temperatures. When kept dry, it is stable to oxygen.