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122757-53-3 | Cytidine, 2',3'-didehydro-2',3'-dideoxy-2'-fluoro-
CAS No: 122757-53-3 Catalog No: AG000JBK MDL No:
Product Description
Catalog Number:
AG000JBK
Chemical Name:
Cytidine, 2',3'-didehydro-2',3'-dideoxy-2'-fluoro-
CAS Number:
122757-53-3
Molecular Formula:
C9H10FN3O3
Molecular Weight:
227.1924
IUPAC Name:
4-amino-1-[(2R,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H10FN3O3/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15/h1-3,5,8,14H,4H2,(H2,11,12,15)/t5-,8+/m0/s1
InChI Key:
KXCHLAARWGPSAG-YLWLKBPMSA-N
SMILES:
Nc1ccn(c(=O)n1)[C@@H]1O[C@@H](C=C1F)CO
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.195g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Literature
| Title | Journal |
|---|---|
| Synthesis, antiviral activity, and mechanism of drug resistance of D- and L-2',3'-didehydro-2',3'-dideoxy-2'-fluorocarbocyclic nucleosides. | Journal of medicinal chemistry 20050602 |
| Synthesis, structure-activity relationships, and drug resistance of beta-d-3'-fluoro-2',3'-unsaturated nucleosides as anti-HIV Agents. | Journal of medicinal chemistry 20040617 |
| The role of 2',3'-unsaturation on the antiviral activity of anti-HIV nucleosides against 3TC-resistant mutant (M184V). | Bioorganic & medicinal chemistry letters 20030616 |
| Synthesis, anti-HIV activity, and molecular mechanism of drug resistance of L-2',3'-didehydro-2',3'-dideoxy-2'-fluoro-4'-thionucleosides. | Journal of medicinal chemistry 20030130 |
| 2'-Fluoro-4'-thio-2',3'-unsaturated nucleosides: anti-HIV activity, resistance profile, and molecular modeling studies. | Nucleosides, nucleotides & nucleic acids 20030101 |
| Structure-activity relationships of 2'-fluoro-2',3'-unsaturated D-nucleosides as anti-HIV-1 agents. | Journal of medicinal chemistry 20020314 |
| Synthesis and antiviral activity of monofluoro and difluoro analogues of pyrimidine deoxyribonucleosides against human immunodeficiency virus (HIV-1). | Journal of medicinal chemistry 19900801 |
| Synthesis and anti-HIV activity of several 2'-fluoro-containing pyrimidine nucleosides. | Journal of medicinal chemistry 19900801 |
| Structure-activity relationships of fluorinated nucleoside analogs and their synergistic effect in combination with phosphonoformate against human immunodeficiency virus type 1. | Antimicrobial agents and chemotherapy 19891201 |
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