Phenolphthalein glucuronide

Base Information

• Chemical Name: Phenolphthalein glucuronide
• CAS No.: 15265-26-6
• Molecular Formula: C26H22 O10
• Molecular Weight: 494.455
• Hs Code.: 2938909090
• UNII: 0S390I6642
• Nikkaji Number: J430.921I
• Wikidata: Q27237164
• Mol file: 15265-26-6.mol

Synonyms:phenolphthalein glucuronide;phenolphthalein glucuronide sodium salt

Chemical Property of Phenolphthalein glucuronide

Chemical Property:

• Vapor Pressure: 2.53E-27mmHg at 25°C
• Boiling Point: 804.5°Cat760mmHg
• PKA: 2.77±0.70(Predicted)
• Flash Point: 276.5°C
• PSA: 162.98000
• Density: 1.584g/cm³
• LogP: 1.12550
• Storage Temp.: −20°C
• Solubility.: H2O: 0.1 g/mL, clear, light yellow
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 494.12129689
• Heavy Atom Count: 36
• Complexity: 805

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenolphthalein β-D-Glucuronide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
• Uses: β-glucuronidase test: suitable as substrate, for liver and bacterial enzymes Phenolphthalein β-D-Glucuronide is a commonly used glucuronide conjugate for β-glucuronidase measurements. Highly water-soluble.

Technology Process of Phenolphthalein glucuronide

There total 2 articles about Phenolphthalein glucuronide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 34.0%

phenolphthalein (77-09-8) + 1-bromo-2,3,4-tri-O-acetyl-α-D-glucuronic acid methyl ester (21085-72-3) → Phenolphthalein glucuronide (15265-26-6)

Guidance literature:

phenolphthalein; 1-bromo-2,3,4-tri-O-acetyl-α-D-glucuronic acid methyl ester; With silver(l) oxide; In methanol; at 20 ℃; for 8h;

With methanol; sodium hydroxide; at 20 ℃; for 4h; Solvent;

Reference yield:

phenolphthalein (77-09-8) → Phenolphthalein glucuronide (15265-26-6)

Guidance literature:

With Escherichia coli glucuronidase; Concentration; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1016/j.molcatb.2010.01.029

upstream raw materials:

phenolphthalein

1-bromo-2,3,4-tri-O-acetyl-α-D-glucuronic acid methyl ester

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