≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
| Pubchem Sid | 504757605 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757605 |
| Canonical Smiles | C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O.[Cl-] |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
| InChIKey | DIRROHKULXIUCB-DHJOXOLYSA-N |
| INCHI | 1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1 |
| Isomeric SMILES | C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O.[Cl-] |
| WGK Germany | 3 |
| PubChem CID | 167642 |
| Molecular Weight | 630.98 |
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-5-O-glycosides |
| Alternative Parents | Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Hexoses O-glycosyl compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Polyols Acetals Organic chloride salts Hydrocarbon derivatives Primary alcohols Organic zwitterions |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Flavonoid-3-o-glycoside - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Heteroaromatic compound - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Organic zwitterion - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic chloride salt - Organooxygen compound - Alcohol - Primary alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. |
| External Descriptors | Not available |
| Boil Point(°C) | 108-110° C |
|---|---|
| Molecular Weight | 631.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 7 |
| Exact Mass | 630.135 Da |
| Monoisotopic Mass | 630.135 Da |
| Topological Polar Surface Area | 240.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 859.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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 |
K2308553