Malvidin

C17H15ClO7CAS 643-84-5366.75 g/mol

OO+OHOHHOOO−HCl
EtherPhenol

Properties

Molecular formula
C17H15ClO7
Molar mass
366.75 g/mol
Exact mass
366.0506 Da
Melting point
above 300 °C
logP
3.01Crippen estimate
Polar surface area
113.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3

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
643-84-5
SMILES
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1[O-].Cl
InChIKey
KQIKOUUKQBTQBE-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H

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Names and synonyms

14 names · show all
  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1)
  • Flavylium, 3,4′,5,7-tetrahydroxy-3′,5′-dimethoxy-, chloride
  • 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
  • Enidin
  • Malvidin chloride
  • Oenidin
  • Syringidin
  • Syringidin chloride
  • 3,4′,5,7-Tetrahydroxy-3′,5′-dimethoxyflavylium chloride
  • 3,4′,5,7-Tetrahydroxy-3′,5′-dimethoxy-2-phenylbenzopyrylium chloride
  • Malvidol
  • Primulidin
  • Malvinidin
  • Malvinidol chloride

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Similar compounds

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

Same formula

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