≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-] |
|---|---|
| IUPAC Name | (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
| InChIKey | ZJWIIMLSNZOCBP-KGDMUXNNSA-N |
| INCHI | 1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17+,18+,19-,21-;/m1./s1 |
| Isomeric SMILES | C1=C(C=C(C(=C1O)O)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-] |
| Alternate CAS | 28500-00-7 |
| PubChem CID | 176440 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Anthocyanidins Hexoses O-glycosyl compounds 1-benzopyrans Pyrogallols and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives 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 - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Anthocyanidin - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Pyrogallol derivative - Benzenetriol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - 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 |
| Molecular Weight | 500.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 4 |
| Exact Mass | 500.072 Da |
| Monoisotopic Mass | 500.072 Da |
| Topological Polar Surface Area | 202.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 641.000 |
| 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 |
