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125362-05-2 | Cytidine, 2',3'-didehydro-2',3'-dideoxy-3'-fluoro- (9CI)
CAS No: 125362-05-2 Catalog No: AG000NJR MDL No:
Product Description
Catalog Number:
AG000NJR
Chemical Name:
Cytidine, 2',3'-didehydro-2',3'-dideoxy-3'-fluoro- (9CI)
CAS Number:
125362-05-2
Molecular Formula:
C9H10FN3O3
Molecular Weight:
227.1924
IUPAC Name:
4-amino-1-[(2R,5R)-4-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H10FN3O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-3,6,8,14H,4H2,(H2,11,12,15)/t6-,8-/m1/s1
InChI Key:
MEVXHGRLPDLNHY-HTRCEHHLSA-N
SMILES:
Nc1ccn(c(=O)n1)[C@@H]1O[C@@H](C(=C1)F)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, structure-activity relationships, and drug resistance of beta-d-3'-fluoro-2',3'-unsaturated nucleosides as anti-HIV Agents. | Journal of medicinal chemistry 20040617 |
| Antiviral activities and cellular toxicities of modified 2',3'-dideoxy-2',3'-didehydrocytidine analogues. | Antimicrobial agents and chemotherapy 20021201 |
| 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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