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127492-32-4 | Cytidine, 5-chloro-2',3'-dideoxy-3'-fluoro-
CAS No: 127492-32-4 Catalog No: AG000X4V MDL No:
Product Description
Catalog Number:
AG000X4V
Chemical Name:
Cytidine, 5-chloro-2',3'-dideoxy-3'-fluoro-
CAS Number:
127492-32-4
Molecular Formula:
C9H11ClFN3O3
Molecular Weight:
263.6533
IUPAC Name:
4-amino-5-chloro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H11ClFN3O3/c10-4-2-14(9(16)13-8(4)12)7-1-5(11)6(3-15)17-7/h2,5-7,15H,1,3H2,(H2,12,13,16)/t5-,6+,7+/m0/s1
InChI Key:
DKTULUNJRRRNTA-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1F)n1cc(Cl)c(nc1=O)N
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
263.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.653g/mol
Monoisotopic Mass:
263.047g/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 |
|---|---|
| Use of a standardized cell culture assay to assess activities of nucleoside analogs against hepatitis B virus replication. | Antiviral research 19920701 |
| Synthesis and anti-HIV evaluation of 2',3'-dideoxyribo-5-chloropyrimidine analogues: reduced toxicity of 5-chlorinated 2',3'-dideoxynucleosides. | Journal of medicinal chemistry 19900601 |
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