Ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate

Base Information

• Chemical Name: Ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate
• CAS No.: 82970-82-9
• Molecular Formula: C27H29NO9
• Molecular Weight: 511.5205
• Nikkaji Number: J446.421D,J62.498E
• Mol file: 82970-82-9.mol

Synonyms:CAM prodrug;ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate;ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate, (E)-isomer;NSC 297879D;NSC-297879D

Chemical Property of Ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate

Chemical Property:

• Vapor Pressure: 2.29E-21mmHg at 25°C
• Boiling Point: 713.5°Cat760mmHg
• Flash Point: 385.3°C
• PSA: 137.46000
• Density: 1.314g/cm³
• LogP: 4.88820
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 511.18423150
• Heavy Atom Count: 37
• Complexity: 864

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(=CCC1=C(C(=C2COC(=O)C2=C1OC(=O)NC3=CC=C(C=C3)C(=O)O)C)OC)C
• Isomeric SMILES: CCOC(=O)CC/C(=C/CC1=C(C(=C2COC(=O)C2=C1OC(=O)NC3=CC=C(C=C3)C(=O)O)C)OC)/C

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