Lilly 53857

Base Information

• Chemical Name: Lilly 53857
• CAS No.: 60634-51-7
• Molecular Formula: C27H36N2O7
• Molecular Weight: 500.5839
• UNII: L37TVX7U5M
• Wikidata: Q27282651
• ChEMBL ID: CHEMBL1399645
• Mol file: 60634-51-7.mol

Synonyms:Lilly 53857;LY 53857;LY-53857

Chemical Property of Lilly 53857

Chemical Property:

• Vapor Pressure: 3.83E-13mmHg at 25°C
• Boiling Point: 554.8°C at 760 mmHg
• Flash Point: 289.3°C
• PSA: 129.30000
• LogP: 3.14440
• Solubility.: 0.1 M HCl: 25 mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 500.25225149
• Heavy Atom Count: 36
• Complexity: 701

Purity/Quality:

98% ^*data from raw suppliers

LY-53857 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4.C(=C\C(=O)O)\C(=O)O