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162204-30-0 | Cytidine, 5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]-
CAS No: 162204-30-0 Catalog No: AG001SVJ MDL No:MFCD00930630
Product Description
Catalog Number:
AG001SVJ
Chemical Name:
Cytidine, 5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]-
CAS Number:
162204-30-0
Molecular Formula:
C15H22FN3O6
Molecular Weight:
359.3501
MDL Number:
MFCD00930630
IUPAC Name:
3-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/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
InChI Key:
PPVCPOIDSSQXMR-UORFTKCHSA-N
SMILES:
CC(CCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C)C
UNII:
T83E758HO7
Properties
Complexity:
594
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:
0
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 |
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