Acevaltrate

Base Information

• Chemical Name: Acevaltrate
• CAS No.: 25161-41-5
• Deprecated CAS: 23067-35-8,28325-58-8,30584-21-5,31244-57-2
• Molecular Formula: C24H32 O10
• Molecular Weight: 480.5049
• European Community (EC) Number: 246-685-1
• UNII: S9MFK45GY9
• DSSTox Substance ID: DTXSID30179834
• Nikkaji Number: J236.070E
• Wikipedia: Acevaltrate
• Wikidata: Q15633961
• NCI Thesaurus Code: C77241
• ChEMBL ID: CHEMBL563350
• Mol file: 25161-41-5.mol

Synonyms:acevaltrate

Chemical Property of Acevaltrate

Chemical Property:

• Vapor Pressure: 1.13E-11mmHg at 25°C
• Melting Point: 80-81 °C
• Boiling Point: 538.7°Cat760mmHg
• Flash Point: 229°C
• PSA: 126.96000
• Density: 1.26g/cm³
• LogP: 2.34780
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 480.19954721
• Heavy Atom Count: 34
• Complexity: 915

Purity/Quality:

99% ^*data from raw suppliers

Acevaltrate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C
• Isomeric SMILES: CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C