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Home > Fluorides > 115249-95-1
115249-95-1 | Cytidine, 2',3'-dideoxy-3'-fluoro-5-methyl-
CAS No: 115249-95-1 Catalog No: AG000GIA MDL No:
Product Description
Catalog Number:
AG000GIA
Chemical Name:
Cytidine, 2',3'-dideoxy-3'-fluoro-5-methyl-
CAS Number:
115249-95-1
Molecular Formula:
C10H14FN3O3
Molecular Weight:
243.2349
IUPAC Name:
4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
InChI:
InChI=1S/C10H14FN3O3/c1-5-3-14(10(16)13-9(5)12)8-2-6(11)7(4-15)17-8/h3,6-8,15H,2,4H2,1H3,(H2,12,13,16)/t6-,7+,8+/m0/s1
InChI Key:
YTMNCNXZZRCBFC-XLPZGREQSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1F)n1cc(C)c(nc1=O)N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
243.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.238g/mol
Monoisotopic Mass:
243.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| 3'-Fluoro-2',3'-dideoxy-5-chlorouridine: most selective anti-HIV-1 agent among a series of new 2'- and 3'-fluorinated 2',3'-dideoxynucleoside analogues. | Journal of medicinal chemistry 19890801 |
| Enhanced in vitro inhibition of HIV-1 replication by 3'-fluoro-3'-deoxythymidine compared to several other nucleoside analogs. | AIDS research and human retroviruses 19881201 |
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