Oxoprenolol glucuronide

Base Information

• Chemical Name: Oxoprenolol glucuronide
• CAS No.: 53564-66-2
• Molecular Formula: C21H31 N O9
• Molecular Weight: 441.47
• DSSTox Substance ID: DTXSID80968331
• Mol file: 53564-66-2.mol

Synonyms:oxoprenolol glucuronide;oxoprenolol glucuronide, (R)-isomer;oxoprenolol glucuronide, (S)-isomer

Chemical Property of Oxoprenolol glucuronide

Chemical Property:

• Vapor Pressure: 1.41E-18mmHg at 25°C
• Boiling Point: 664.7°Cat760mmHg
• Flash Point: 355.8°C
• Density: 1.32g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 441.19988157
• Heavy Atom Count: 31
• Complexity: 561

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1OCC=C)OC2C(C(C(C(O2)C(=O)O)O)O)O
• Isomeric SMILES: CC(C)NCC(COC1=CC=CC=C1OCC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

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