analytical standard, ≥98%(HPLC) Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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=CC(=CC=C1COC(=O)CC(CC(=O)OCC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)(C(=O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
|---|---|
| IUPAC Name | 2-hydroxy-4-oxo-2-[2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]butanoic acid |
| InChIKey | PMVCHAWVCIWVLP-KDSCYBBXSA-N |
| INCHI | 1S/C32H40O19/c33-11-19-23(37)25(39)27(41)29(50-19)48-17-5-1-15(2-6-17)13-46-21(35)9-32(45,31(43)44)10-22(36)47-14-16-3-7-18(8-4-16)49-30-28(42)26(40)24(38)20(12-34)51-30/h1-8,19-20,23-30,33-34,37-42,45H,9-14H2,(H,43,44)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1 |
| Isomeric SMILES | C1=CC(=CC=C1COC(=O)CC(CC(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C(=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| Alternate CAS | 174972-80-6 |
| PubChem CID | 10676408 |
| MeSH Entry Terms | 1,3-bis(4-(D-glucopyranosyloxy)benzyl)citrate;parishin C |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Glycosyl compounds |
| Direct Parent | Phenolic glycosides |
| Alternative Parents | O-glycosyl compounds Benzyloxycarbonyls Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Sugar acids and derivatives Fatty acid esters Alpha hydroxy acids and derivatives Oxanes Monosaccharides Tertiary alcohols Secondary alcohols Carboxylic acid esters Acetals Polyols Oxacyclic compounds Carboxylic acids Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenolic glycoside - O-glycosyl compound - Benzyloxycarbonyl - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Fatty acid ester - Sugar acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Oxane - Fatty acyl - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Oxacycle - Acetal - Carboxylic acid - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
| External Descriptors | Not available |
| Solubility | Soluble in organic solvents such as methanol, ethanol, DMSO, etc. |
|---|---|
| Molecular Weight | 728.600 g/mol |
| XLogP3 | -2.700 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 17 |
| Exact Mass | 728.216 Da |
| Monoisotopic Mass | 728.216 Da |
| Topological Polar Surface Area | 309.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1050.000 |
| 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 | 1 |
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