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Home > Fluorides > 123402-21-1
123402-21-1 | Guanosine, 3'-deoxy-3'-fluoro-
CAS No: 123402-21-1 Catalog No: AG000KJG MDL No:
Product Description
Catalog Number:
AG000KJG
Chemical Name:
Guanosine, 3'-deoxy-3'-fluoro-
CAS Number:
123402-21-1
Molecular Formula:
C10H12FN5O4
Molecular Weight:
285.2318
IUPAC Name:
2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H12FN5O4/c11-4-3(1-17)20-9(6(4)18)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:
VDOWHLFGBWKXJC-DXTOWSMRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)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:
-1.4
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase. | Journal of medicinal chemistry 20040422 |
| Synthesis and antiviral and cytostatic properties of 3'-deoxy-3'-fluoro- and 2'-azido-3'-fluoro-2',3'-dideoxy-D-ribofuranosides of natural heterocyclic bases. | Journal of medicinal chemistry 19910701 |
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