C41H64FeN9O17

Base Information

• Chemical Name: C41H64FeN9O17
• CAS No.: 29825-06-7
• Molecular Formula: C41H64 Fe N9 O17
• Molecular Weight: 1010.842
• Mol file: 29825-06-7.mol

Synonyms:ferrirhodin;ferrirhodin, (E,E,E)-isomer;ferrirubin

Chemical Property of C41H64FeN9O17

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 426.80000
• Density: g/cm³
• LogP: -2.51640
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 23
• Exact Mass: 1010.376952
• Heavy Atom Count: 68
• Complexity: 1790

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)CO)CCCN(C(=O)C=C(C)CCO)[O-])CCCN(C(=O)C=C(C)CCO)[O-])[O-])CCO.[Fe+3]
• Isomeric SMILES: C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)CO)CCCN(C(=O)/C=C(\C)/CCO)[O-])CCCN(C(=O)/C=C(\C)/CCO)[O-])[O-])/CCO.[Fe+3]

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