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.
Raloxifene 4'-Glucuronide is a metabolite of Raloxifene, a nonsteroidal estrogen receptor mixed agonist/antagonist.
| Sorrisos canónicos | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid |
| InChIKey | VHXYPEXOSLGZKH-WKRHDJAJSA-N |
| INCHI | 1S/C34H35NO10S/c36-21-8-13-24-25(18-21)46-32(20-6-11-23(12-7-20)44-34-30(40)28(38)29(39)31(45-34)33(41)42)26(24)27(37)19-4-9-22(10-5-19)43-17-16-35-14-2-1-3-15-35/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30+,31-,34+/m0/s1 |
| SMILES isoméricas | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O |
| PubChem CID | 9917566 |
| Peso molecular | 649.71 |
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 | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Glycosyl compounds |
| Direct Parent | Phenolic glycosides |
| Alternative Parents | Fatty acyl glycosides of mono- and disaccharides O-glucuronides Aryl-phenylketones 3-aroylthiophenes Alkyl glycosides O-glycosyl compounds 1-benzothiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Monosaccharides Piperidines Pyrans Oxanes Heteroaromatic compounds Trialkylamines Secondary alcohols Amino acids Monocarboxylic acids and derivatives Acetals Polyols Carboxylic acids Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Aryl-phenylketone - Alkyl glycoside - 3-aroylthiophene - O-glycosyl compound - 1-benzothiophene - Benzothiophene - Benzoyl - Phenoxy compound - Aryl ketone - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Monosaccharide - Fatty acyl - Benzenoid - Hydroxy acid - Oxane - Piperidine - Pyran - Heteroaromatic compound - Thiophene - Amino acid - Tertiary aliphatic amine - Ketone - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Polyol - Monocarboxylic acid or derivatives - Alcohol - Aldehyde - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descrição | 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 |
| Solubilidade | Soluble in DMSO, DMF, Hot Methanol, and water. |
|---|---|
| Índice de refração | n20D1.68 (Predicted) |
| Ponto de ebulição (°C) | 949.63° C at 760 mmHg (Predicted) |
| Ponto de fusão (°C) | 209-213° C (dec.) |
| Peso molecular | 649.700 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 649.198 Da |
| Monoisotopic Mass | 649.198 Da |
| Topological Polar Surface Area | 194.000 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1010.000 |
| 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 | 1 |
