chempirical

Delphinidin chloride

C15H11ClO7CAS 528-53-0338.70 g/mol

Open in Covalent MOL file
HClO−HOO+OHOHHOHO
Phenol

Properties

Molecular formula
C15H11ClO7
Molar mass
338.70 g/mol
Exact mass
338.0193 Da
Melting point
above 350 °C
logP
2.40Crippen estimate
Polar surface area
135.5 Ų
H-bond donors / acceptors
5 / 6
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
528-53-0
SMILES
Cl.[O-]c1c(O)cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1O
InChIKey
FFNDMZIBVDSQFI-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
  • Flavylium, 3,3′,4′,5,5′,7-hexahydroxy-, chloride
  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
  • Delphinidin
  • Ephdine
  • 3,3′,4′,5,5′,7-Hexahydroxyflavylium chloride
  • 3,3′,4′,5,5′,7-Hexahydroxy-2-phenylbenzopyrylium chloride
  • Delphinidine
  • Delphinidol
  • Delfinidol chloride
  • IdB 1056

Work with Delphinidin 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

Malvidin643-84-571 % similar Cyanidin chloride528-58-561 % similar Pelargonidin134-04-360 % similar Luteolinidin1154-78-549 % similar Oenin7228-78-645 % similar Ideain27661-36-540 % similar Chrysanthemin7084-24-440 % similar Malvidin 3,5-diglucoside16727-30-336 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook