N-(3-Pyridylmethyl)dihydroepidoxorubicin

Base Information

• Chemical Name: N-(3-Pyridylmethyl)dihydroepidoxorubicin
• CAS No.: 145785-63-3
• Molecular Formula: C33H36 N2 O11
• Molecular Weight: 636.65
• DSSTox Substance ID: DTXSID80932693
• Mol file: 145785-63-3.mol

Synonyms:N-(3-pyridylmethyl)dihydroepidoxorubicin;YM 4;YM-4;YM4 doxorubicin analog

Chemical Property of N-(3-Pyridylmethyl)dihydroepidoxorubicin

Chemical Property:

• Vapor Pressure: 4.03E-35mmHg at 25°C
• Boiling Point: 903°Cat760mmHg
• Flash Point: 499.9°C
• PSA: 208.13000
• Density: 1.55g/cm³
• LogP: 1.41010
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 636.23190997
• Heavy Atom Count: 46
• Complexity: 1100

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)NCC6=CN=CC=C6)O