Dihbco

Base Information

• Chemical Name: Dihbco
• CAS No.: 142078-77-1
• Molecular Formula: C55H80 I2 N8 O16
• Molecular Weight: 1361.05864
• Mol file: 142078-77-1.mol

Synonyms:digoxin-iodohistamine(bis(O-carboxymethyloxime));DIHBCO

Chemical Property of Dihbco

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 328.32000
• Density: 1.74g/cm³
• LogP: 5.54130
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 24
• Exact Mass: 1358.37849
• Heavy Atom Count: 81
• Complexity: 2230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC(CC=NOCC(=O)NCCC8=C(N=CN8)I)OC(C)C=NOCC(=O)NCCC9=C(N=CN9)I)O
• Isomeric SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC(C/C=N/OCC(=O)NCCC8=C(N=CN8)[125I])OC(C)/C=N/OCC(=O)NCCC9=C(N=CN9)[125I])O