Anthocyanins

Malvidin 3-O-glucoside chloride

氯化锦葵色素-3-葡糖苷

PHY-NP-13991 · Natural product research catalog

Catalog number	PHY-NP-13991
CAS number	7228-78-6
Molecular formula	C₂₃H₂₅CLO₁₂
Molecular weight	528.894 g/mol
Chemical class	Anthocyanins
Main reported source	Vitis vinifera
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Product information

Malvidin 3-O-glucoside chloride is listed in the Anthocyanins section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

SMILES	COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]
InChIKey	PXUQTDZNOHRWLI-OXUVVOBNSA-O
Subclass / scaffold	Anthocyanidins
PubChem CID	11249520

Computed properties

Exact mass (Da)	528.1035	Predicted LogP	0.6936
Predicted TPSA (Å²)	189.83	H-bond donors	7
H-bond acceptors	11	Rotatable bonds	6

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	4
Aromatic rings	3
Fraction Csp³	0.348
Synthetic accessibility score	4.24
QED score	0.238
Lipinski rule violations	2
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Flavonoids
NPClassifier class	Anthocyanidins
Parent SMILES	COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Parent formula	C₂₃H₂₅O₁₂+
Parent molecular weight	493.441
Specified stereocenters	5
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Vitis vinifera
Reported source families	Ericaceae; Rosaceae; Vitaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Vitis vinifera[17]; Vaccinium corymbosum[4]; Vaccinium myrtillus[4]; Phaseolus vulgaris[3]; Rubus idaeus[2]; Vaccinium angustifolium[2]; Anagallis arvensis[1]; Clarkia speciosa[1]; Hibiscus syriacus[1]; Malvaviscus arboreus[1]; Nidularium innocentii[1]; Prunus avium[1]; Ribes nigrum[1]; Vaccinium arboreum[1]; Vaccinium padifolium[1]
All reported source families	Ericaceae[6]; Rosaceae[4]; Vitaceae[2]; Malvaceae[2]; Fabaceae[1]; Primulaceae[1]
Genus / family records	Fragaria[1]; Rubus[1]
LOTUS species records	18
LOTUS reference records	38
COCONUT occurrence records	Acacia adunca; Aconitum violaceum; Adiantum lunulatum; Agelas linnaei; Ahnfeltia paradoxa; Alstonia spathulata; Alternaria japonica; Amaranthus viridis; Amathia pinnata; Amphilophium crucigerum; Anacystis montana; Anagallis arvensis; Annona cornifolia; Anochetus kempfi; Artemisia assoana; Ascidia ahodori; Aspergillus falconensis; Asterospicularia laurae; Astragalus sempervirens; Bishovia boliviensis; Blastochloris viridis; Bleekeria vitiensis; Caesalpinia magnifoliolata; Calostephane divaricata; Caragana aurantiaca; Carya cathayensis; Caulerpa serrulata; Ceramium rubrum; Chaenomeles sinensis; Cichorium glandulosum
COCONUT organism records	121
COCONUT identifier	CNP0503096.5
Source reference DOI(s)	10.1021/JF035034F.S001

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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Malvidin 3-O-glucoside chloride

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Product information

Names & identifiers

Computed properties

Reported natural occurrence

Documents & specifications

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