Home Other Building Blocks 5-FLUORO-2'-DEOXYURIDINE 5'-MONOPHOSPHATE SODIUM SALT

5-FLUORO-2'-DEOXYURIDINE 5'-MONOPHOSPHATE SODIUM SALT

CAS No.:
103226-10-4
Catalog Number:
AG008UK4
Molecular Formula:
C9H10FN2Na2O8P
Molecular Weight:
370.1360
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Product Description
Catalog Number:
AG008UK4
Chemical Name:
5-FLUORO-2'-DEOXYURIDINE 5'-MONOPHOSPHATE SODIUM SALT
CAS Number:
103226-10-4
Molecular Formula:
C9H10FN2Na2O8P
Molecular Weight:
370.1360
MDL Number:
MFCD16714828
IUPAC Name:
disodium;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
InChI:
InChI=1S/C9H12FN2O8P.2Na/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18;;/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChI Key:
XLDWFMGNEABNKL-OJSHLMAWSA-L
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(F)c(=O)[nH]c1=O.[Na+].[Na+]
Properties
Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
369.995g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
370.137g/mol
Monoisotopic Mass:
369.995g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and evaluation of 5-substituted 2'-deoxyuridine monophosphate analogues as inhibitors of flavin-dependent thymidylate synthase in Mycobacterium tuberculosis. Journal of medicinal chemistry 20110714
Properties