Fosfadecin

Base Information

• Chemical Name: Fosfadecin
• CAS No.: 120909-50-4
• Molecular Formula: C13H19 N5 O10 P2
• Molecular Weight: 467.264982
• DSSTox Substance ID: DTXSID80923602
• Wikidata: Q82897617
• Metabolomics Workbench ID: 97957
• Mol file: 120909-50-4.mol

Synonyms:fosfadecin;TAN 930;TAN-930

Chemical Property of Fosfadecin

Chemical Property:

• Vapor Pressure: 5E-30mmHg at 25°C
• Boiling Point: 840.9°Cat760mmHg
• Flash Point: 462.4°C
• PSA: 244.52000
• Density: 2.34g/cm³
• LogP: -0.32730
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 467.06071582
• Heavy Atom Count: 30
• Complexity: 749

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(O1)P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O

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