[(2R,3S,4E,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Base Information

• Chemical Name: [(2R,3S,4E,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
• CAS No.: 177956-38-6
• Molecular Formula: C10H14 F N3 O10 P2
• Molecular Weight: 417.18
• Nikkaji Number: J959.046C,J750.822K
• Mol file: 177956-38-6.mol

Synonyms:2'-fluoromethylene-2'-deoxycytidine 5'-diphosphate;2'-fluoromethylene-2'-deoxycytidine 5'-diphosphate, (Z)-isomer;2-FMCDP

Chemical Property of [(2R,3S,4E,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethylidene)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Chemical Property:

• Boiling Point: 746.1°Cat760mmHg
• Flash Point: 405°C
• Density: 2.16g/cm³
• XLogP3: -5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 417.01384581
• Heavy Atom Count: 26
• Complexity: 764

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(=CF)C(C(O2)COP(=O)(O)OP(=O)(O)O)O
• Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O