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78842-13-4 | 2'-Fluoro -2'-deoxyguanosine
CAS No: 78842-13-4 Catalog No: AG005D88 MDL No:MFCD00923832
Product Description
Catalog Number:
AG005D88
Chemical Name:
2'-Fluoro -2'-deoxyguanosine
CAS Number:
78842-13-4
Molecular Formula:
C10H12FN5O4
Molecular Weight:
285.2318
MDL Number:
MFCD00923832
IUPAC Name:
2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
InChI Key:
UXUZARPLRQRNNX-DXTOWSMRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
285.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
285.235g/mol
Monoisotopic Mass:
285.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase. | Journal of medicinal chemistry 20040422 |
| A new synthesis of 9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)guanine (AraF-G). | Nucleosides, nucleotides & nucleic acids 20030101 |
| Comparative anti-influenza virus activity of 2'-deoxy-2'-fluororibosides in vitro. | Antiviral research 19930801 |
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