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Petunidin-3-O-Glucoside - ≥90%, high purity , CAS No.6988-81-4

COA

Grade & Purity:

≥90%

Cas Number: 6988-81-4
Molecular Weight: 514.86
MDL number: MFCD01762898
PubChem CID: 176449

In stock

Item Number

P769911

Grouped product items
SKU	Size	Availability	Price	Qty
P769911-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,109.90
P769911-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,773.90

Basic Description

Specifications & Purity	≥90%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavonoid glycosides
      - Level5 Flavonoid O-glycosides
        Level6 Anthocyanins
        Level7 Anthocyanidin-3-O-glycosides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavonoid glycosides
Intermediate Tree Nodes	Flavonoid O-glycosides - Anthocyanins
Direct Parent	Anthocyanidin-3-O-glycosides
Alternative Parents	Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Anthocyanidins Hexoses O-glycosyl compounds Methoxyphenols 1-benzopyrans Phenoxy compounds Methoxybenzenes Catechols Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Anthocyanidin - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Methoxyphenol - Benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Catechol - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
INCHI	InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1
InChIKey	HBKZHMZCXXQMOX-YATQZQGFSA-N
Smiles	COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]
Isomeric SMILES	COC1=CC(=CC(=C1O)O)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-]
WGK Germany	1
PubChem CID	176449
Molecular Weight	514.86

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	51.8 °F
Flash Point(°C)	11 °C
Molecular Weight	514.900 g/mol
XLogP3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	514.088 Da
Monoisotopic Mass	514.088 Da
Topological Polar Surface Area	191.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	668.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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