Mycophenolic acid glucuronide (Standard) , CAS No.31528-44-6

CAS: 31528-44-6 Cat. No.: M1443107 Molecular Weight: 496.46 EC Number: 803-548-6 PubChem CID: 6442661

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Mycophenolic acid glucuronide (Standard) is the analytical standard of Mycophenolic acid glucuronide. This product is intended for research and analytical applications. Mycophenolic acid glucuronide is a metabolite of the immunosuppressant mycophenolic acid (MPA). Mycophenolic acid glucuronide shows anti-tumor activity and can be used in adenocarcinoma research.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• InChIKey: BYFGTSAYQQIUCN-HGIHDBQLSA-N
• INCHI: 1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1
• Isomeric SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
• WGK Germany: 2
• PubChem CID: 6442661
• Molecular Weight: 496.46

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 Phthalides Tricarboxylic acids and derivatives Anisoles Beta hydroxy acids and derivatives Alkyl aryl ethers Oxanes Pyrans Secondary alcohols Lactones Carboxylic acid esters Acetals Oxacyclic compounds Carboxylic acids Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Isobenzofuranone - Phthalide - Isocoumaran - Tricarboxylic acid or derivatives - Anisole - Beta-hydroxy acid - Alkyl aryl ether - Pyran - Benzenoid - Oxane - Monosaccharide - Hydroxy acid - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Ether - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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

• Flash Point(°F): 35.6 °F
• Flash Point(°C): 2 °C