Maytenus celestracae (B631179K677)

Base Information

• Chemical Name: Maytenus celestracae (B631179K677)
• CAS No.: 62414-95-3
• Molecular Formula: C₃₄H₄₅ClN₂O₁₁
• Molecular Weight: 693.191
• NSC Number: 269765
• DSSTox Substance ID: DTXSID40420389
• Mol file: 62414-95-3.mol

Synonyms:NSC269765;62414-95-3;DTXSID40420389;TN-033;NSC-269765;MAYTENUS CELESTRACAE (B631179K677)

Chemical Property of Maytenus celestracae (B631179K677)

Chemical Property:

• Vapor Pressure: 2.99E-31mmHg at 25°C
• Boiling Point: 856.6°Cat760mmHg
• Flash Point: 471.8°C
• Density: 1.32g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 692.2711879
• Heavy Atom Count: 48
• Complexity: 1290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC(C(C=CC=C(C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)OC(=O)C)C)OC)(NC(=O)O2)O
• Isomeric SMILES: CC1C2CC(C(/C=C/C=C(\C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)OC(=O)C)/C)OC)(NC(=O)O2)O