2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

Base Information

• Chemical Name: 2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
• CAS No.: 74832-57-8
• Molecular Formula: C10H15 F N5 O13 P3
• Molecular Weight: 525.17
• DSSTox Substance ID: DTXSID70996345
• Mol file: 74832-57-8.mol

Synonyms:DTXSID70996345;2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

Chemical Property of 2-Fluoro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1006.2°C at 760 mmHg
• Flash Point: 562.4°C
• Density: 2.68g/cm³
• XLogP3: -5.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 524.98632471
• Heavy Atom Count: 32
• Complexity: 836

Purity/Quality:

97% ^*data from raw suppliers

Fludarabine triphosphate trisodium ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N
• Isomeric SMILES: C1=NC2=C(N=C(N=C2N1C3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N