Propofol β-D-glucuronide - Moligand™,≥99% , CAS No.114991-26-3

CAS: 114991-26-3 Cat. No.: P1440773 Molecular Weight: 354.39 EC Number: 804-818-6 PubChem CID: 71751823

GRADE & PURITY Moligand™, ≥99%

Synonyms

(2S,3S,4S,5R,6S)-6-(2,6-Diisopropylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Propofol β-D-glucuronide is a metabolite of propofol sulfate，mediated by UDP-glucuronosyltransferase (UGT), and can be used to study sleep deprivation (SD).

Specifications

Synonyms

(2S, 3S, 4S, 5R, 6S)-6-(2, 6-Diisopropylphenoxy)-3, 4, 5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Specifications & Purity

Moligand™, ≥99%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)C1=C(C(=CC=C1)C(C)C)OC2C(C(C(C(O2)C(=O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[2,6-di(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• InChIKey: JZSJIASBMOIIKI-RUKPJNHUSA-N
• INCHI: 1S/C18H26O7/c1-8(2)10-6-5-7-11(9(3)4)15(10)24-18-14(21)12(19)13(20)16(25-18)17(22)23/h5-9,12-14,16,18-21H,1-4H3,(H,22,23)/t12-,13-,14+,16-,18+/m0/s1
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
• PubChem CID: 71751823
• Molecular Weight: 354.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• 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-glucuronides Hexoses O-glycosyl compounds Cumenes Phenylpropanes Phenol ethers Phenoxy compounds Beta hydroxy acids and derivatives Oxanes Pyrans Secondary alcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Acetals Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Hydroxy acid - Oxane - Pyran - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - 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

Data sources

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

Chemical and Physical Properties

• Sensitivity: heat sensitive；Moisture sensitive