Clofarabine triphosphate

Base Information

• Chemical Name: Clofarabine triphosphate
• CAS No.: 134646-41-6
• Molecular Formula: C10H14ClFN5O12P3
• Molecular Weight: 543.62
• UNII: YPJ8ZV99ZP
• DSSTox Substance ID: DTXSID00432746
• Wikidata: Q82246854
• ChEMBL ID: CHEMBL1201370
• Mol file: 134646-41-6.mol

Synonyms:CLOFARABINE TRIPHOSPHATE;134646-41-6;[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;Clofarabine Triphosphate Triethylamine Salt;Clofarabine-5'-triphosphate;YPJ8ZV99ZP;SCHEMBL8923866;CHEMBL1201370;DTXSID00432746;2-Chloro-9-[2-deoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-arabinofuranosyl]-9H-purin-6-amine;9H-Purin-6-amine, 2-chloro-9-[2-deoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-arabinofuranosyl]-

Chemical Property of Clofarabine triphosphate

Chemical Property:

• XLogP3: -3.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 542.9524377
• Heavy Atom Count: 32
• Complexity: 841

Purity/Quality:

99% ^*data from raw suppliers

ClofarabineTriphosphateTriethylamineSalt ^*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)F)Cl)N
• Isomeric SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)Cl)N
• Uses: A metabolite of Clofarabine (C586890). Clofarabine Triphosphate Triethylamine Salt is a metabolite of Clofarabine (C586890).