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Home > Fluorides > 1145869-46-0
1145869-46-0 | Cytidine, 4'-C-azido-3'-deoxy-3'-fluoro-
CAS No: 1145869-46-0 Catalog No: AG000EQS MDL No:
Product Description
Catalog Number:
AG000EQS
Chemical Name:
Cytidine, 4'-C-azido-3'-deoxy-3'-fluoro-
CAS Number:
1145869-46-0
Molecular Formula:
C9H11FN6O4
Molecular Weight:
286.2198
IUPAC Name:
4-amino-1-[(2R,3S,4S,5R)-5-azido-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H11FN6O4/c10-6-5(18)7(20-9(6,3-17)14-15-12)16-2-1-4(11)13-8(16)19/h1-2,5-7,17-18H,3H2,(H2,11,13,19)/t5-,6+,7-,9-/m1/s1
InChI Key:
PCPGVUKMIADCCP-JVZYCSMKSA-N
SMILES:
[N-]=[N+]=N[C@]1(CO)O[C@H]([C@@H]([C@@H]1F)O)n1ccc(nc1=O)N
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
286.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.223g/mol
Monoisotopic Mass:
286.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| The design, synthesis, and antiviral activity of monofluoro and difluoro analogues of 4'-azidocytidine against hepatitis C virus replication: the discovery of 4'-azido-2'-deoxy-2'-fluorocytidine and 4'-azido-2'-dideoxy-2',2'-difluorocytidine. | Journal of medicinal chemistry 20090514 |
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