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145397-26-8 | 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-
CAS No: 145397-26-8 Catalog No: AG001KUW MDL No:
Product Description
Catalog Number:
AG001KUW
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-
CAS Number:
145397-26-8
Molecular Formula:
C8H10FN3O4
Molecular Weight:
231.1811
IUPAC Name:
4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
InChI:
InChI=1S/C8H10FN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m0/s1
InChI Key:
RJKXXGNCKMQXTH-WDSKDSINSA-N
SMILES:
Nc1nc(=O)n(cc1F)[C@@H]1CO[C@@H](O1)CO
UNII:
RQ3X62U8VM
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.183g/mol
Monoisotopic Mass:
231.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| In vitro activity of structurally diverse nucleoside analogs against human immunodeficiency virus type 1 with the K65R mutation in reverse transcriptase. | Antimicrobial agents and chemotherapy 20050301 |
| Synthesis of enantiomerically pure D-FDOC, an anti-HIV agent. | Bioorganic & medicinal chemistry letters 20041004 |
| L-beta-(2S,4S)- and L-alpha-(2S,4R)-dioxolanyl nucleosides as potential anti-HIV agents: asymmetric synthesis and structure-activity relationships. | Journal of medicinal chemistry 19930305 |
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