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Peonidin Chloride

CAT: 1299-RM-P050400-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P050400-01Size:10 mg
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CAS Number
134-01-0
Synonyms
3,5,7-trihydroxy-2- (4-hydroxy-3-methoxyphenyl) chromenylium chloride
Molecular Formula
C16H13ClO6
Molecular Weight
336.72
Product Name Synonym
3,5,7-trihydroxy-2- (4-hydroxy-3-methoxyphenyl) chromenylium chloride

Chemical Information

Peonidin

Peonidin chloride is an anthocyanidin chloride that has peonidin as the cationic component. It has a role as an antioxidant, a metabolite, an antineoplastic agent and an apoptosis inducer. It contains a peonidin.

CAS Number134-01-0
PubChem CID164544
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol chloride
Molecular FormulaC16H13ClO6
Molecular Weight336.72
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity378
SMILES
COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-]
InChI
InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H
InChIKey
OGBSHLKSHNAPEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Peonidin
CAS: 134-01-0
CID: 164544
Formula: C16H13ClO6
MW: 336.72
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.72
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass336.0400658
Monoisotopic Mass336.0400658
Topological Polar Surface Area91.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FP34147-01Peonidin chloride
HY-N2459Peonidin (chloride)
462216Peonidin Chloride-d3
HY-N2459RPeonidin (chloride) (Standard)
CBA21474-01Peonidin 3-arabinoside chloride
294502-01Peonidin 3-glucoside chloride
AB0435Peonidin-3-galactoside chloride
FP65437Peonidin-3,5-diglucoside chloride
TN2050Peonidin-3-O-glucoside chloride
HY-126411-01Peonidin-3-O-galactoside (chloride)

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