[(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Base Information

• Chemical Name: [(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
• CAS No.: 69150-50-1
• Molecular Formula: C12H14 F3 N2 O8 P
• Molecular Weight: 0
• ChEMBL ID: CHEMBL3228982
• Mol file: 69150-50-1.mol

Synonyms:5-(3,3,3-trifluoro-1-propenyl)-2'-deoxyuridylate

Chemical Property of [(2R,3S,5R)-5-[2,4-dioxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Chemical Property:

• PSA: 161.15000
• LogP: 0.28210
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 402.04398689
• Heavy Atom Count: 26
• Complexity: 689

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C=CC(F)(F)F)COP(=O)(O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(F)(F)F)COP(=O)(O)O)O