Home Carbonyls 5'-Deoxy-5-fluoro-N-[(2-methylbutoxy)carbonyl]cytidine

5'-Deoxy-5-fluoro-N-[(2-methylbutoxy)carbonyl]cytidine

CAS No.:
910129-15-6
Catalog Number:
AG00GX7O
Molecular Formula:
C15H22FN3O6
Molecular Weight:
359.3501
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Product Description
Catalog Number:
AG00GX7O
Chemical Name:
5'-Deoxy-5-fluoro-N-[(2-methylbutoxy)carbonyl]cytidine
CAS Number:
910129-15-6
Molecular Formula:
C15H22FN3O6
Molecular Weight:
359.3501
MDL Number:
MFCD23135645
IUPAC Name:
2-methylbutyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
InChI:
InChI=1S/C15H22FN3O6/c1-4-7(2)6-24-15(23)18-12-9(16)5-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h5,7-8,10-11,13,20-21H,4,6H2,1-3H3,(H,17,18,22,23)/t7?,8-,10-,11-,13-/m1/s1
InChI Key:
WBAXSXXYPPILCT-DGHYOTGBSA-N
SMILES:
CCC(COC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C)C
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
359.149g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
359.354g/mol
Monoisotopic Mass:
359.149g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Synthesis and biological activity evaluation of cytidine-5'-deoxy-5-fluoro-N-[(alkoxy/aryloxy)] carbonyl-cyclic 2',3'-carbonates. European journal of medicinal chemistry 20120801
Properties