4-Hydroxypenbutolol-2'-glucuronide

Base Information

• Chemical Name: 4-Hydroxypenbutolol-2'-glucuronide
• CAS No.: 112160-84-6
• Molecular Formula: C24H37 N O9
• Molecular Weight: 483.5519
• UNII: 5716N2X49I
• Wikidata: Q27261442

Synonyms:4-Hydroxypenbutolol-2'-glucuronide;5716N2X49I;112160-84-6;UNII-5716N2X49I;4'-HYDROXYPENBUTOLOL-2-GLUCURONIDE;Q27261442;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(2-CYCLOPENTYL-4-HYDROXYPHENOXY)-1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)ETHYL, (S)

Chemical Property of 4-Hydroxypenbutolol-2'-glucuronide

Chemical Property:

• Vapor Pressure: 1.62E-19mmHg at 25°C
• Boiling Point: 681.7°Cat760mmHg
• Flash Point: 366.1°C
• Density: 1.34g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 483.24683176
• Heavy Atom Count: 34
• Complexity: 651

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=C(C=C(C=C1)O)C2CCCC2)OC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: CC(C)(C)NC[C@@H](COC1=C(C=C(C=C1)O)C2CCCC2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

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