chempirical

Cyanidin chloride

C15H11ClO6CAS 528-58-5322.70 g/mol

Open in Covalent MOL file
HClO−HOOHO+HOHO
Phenol

Properties

Molecular formula
C15H11ClO6
Molar mass
322.70 g/mol
Exact mass
322.0244 Da
Melting point
above 300 °C
logP
2.70Crippen estimate
Polar surface area
115.3 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
528-58-5
SMILES
Cl.[O-]c1cc2c(O)cc(O)cc2[o+]c1-c1ccc(O)c(O)c1
InChIKey
COAWNPJQKJEHPG-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H

Weigh it out

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Names and synonyms

11 names
  • Flavylium, 3,3′,4′,5,7-pentahydroxy-, chloride
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride
  • Cyanidol
  • Cyanidin
  • 3,3′,4′,5,7-Pentahydroxyflavylium chloride
  • 3,3′,4′,5,7-Pentahydroxy-2-phenylbenzopyrylium chloride
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride
  • Cyanidol chloride
  • IdB 1027
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (1:1)
  • Cyanidine

Work with Cyanidin chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pelargonidin134-04-381 % similar Delphinidin chloride528-53-061 % similar Luteolinidin1154-78-560 % similar Ideain27661-36-550 % similar Malvidin643-84-550 % similar Chrysanthemin7084-24-450 % similar Pelargonidin 3-glucoside18466-51-838 % similar Oenin7228-78-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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