3',5'-Difluoromethotrexate

Base Information

• Chemical Name: 3',5'-Difluoromethotrexate
• CAS No.: 34378-64-8
• Molecular Formula: C20H20 F2 N8 O5
• Molecular Weight: 490.4202064
• UNII: C13621B1AB
• Mol file: 34378-64-8.mol

Synonyms:3',5'-difluoromethotrexate;3',5'-F2MTX

Chemical Property of 3',5'-Difluoromethotrexate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 210.54000
• Density: 1.612g/cm³
• LogP: 2.09990
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 490.15247209
• Heavy Atom Count: 35
• Complexity: 770

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3F)C(=O)NC(CCC(=O)O)C(=O)O)F
• Isomeric SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)F