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Petunidin chloride

CAT: 0013-GTR19237207-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237207-01Size:50 mg
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Description
Petunidin chloride has antioxidant, and anti-carcinogenesis activities.
CAS Number
1429-30-7
Purity
>98% (HPLC)
Molecular Formula
C16H13ClO7
Molecular Weight
352.7
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Petunidin

Petunidin chloride is an anthocyanidin chloride that has petunidin as the cationic component. It has a role as a metabolite.

CAS Number1429-30-7
PubChem CID73386
IUPAC Name2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol chloride
Molecular FormulaC16H13ClO7
Molecular Weight352.72
Topological Polar Surface Area111
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
InChI
InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H
InChIKey
QULMBDNPZCFSPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Petunidin
CAS: 1429-30-7
CID: 73386
Formula: C16H13ClO7
MW: 352.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.72
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass352.0349804
Monoisotopic Mass352.0349804
Topological Polar Surface Area111 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
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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