Iso-fmn

Base Information

• Chemical Name: Iso-fmn
• CAS No.: 28848-42-2
• Molecular Formula: C17H21 N4 O9 P
• Molecular Weight: 456.343801
• DSSTox Substance ID: DTXSID90183053
• Nikkaji Number: J781.129B
• Wikidata: Q83053781
• Mol file: 28848-42-2.mol

Synonyms:iso-FMN

Chemical Property of Iso-fmn

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 218.16000
• Density: 1.83g/cm³
• LogP: -1.14590
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 456.10461526
• Heavy Atom Count: 31
• Complexity: 844

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C=C1)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O)C
• Isomeric SMILES: CC1=C(C2=C(C=C1)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C