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Home > Fluorides > 121850-90-6
121850-90-6 | Adenosine, 2',3'-didehydro-2',3'-dideoxy-3'-fluoro- (9CI)
CAS No: 121850-90-6 Catalog No: AG001659 MDL No:
Product Description
Catalog Number:
AG001659
Chemical Name:
Adenosine, 2',3'-didehydro-2',3'-dideoxy-3'-fluoro- (9CI)
CAS Number:
121850-90-6
Molecular Formula:
C10H10FN5O2
Molecular Weight:
251.2171
IUPAC Name:
[(2R,5R)-5-(6-aminopurin-9-yl)-3-fluoro-2,5-dihydrofuran-2-yl]methanol
InChI:
InChI=1S/C10H10FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h1,3-4,6-7,17H,2H2,(H2,12,13,14)/t6-,7-/m1/s1
InChI Key:
ZRZZDWJPUBTIIV-RNFRBKRXSA-N
SMILES:
OC[C@H]1O[C@H](C=C1F)n1cnc2c1ncnc2N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.221g/mol
Monoisotopic Mass:
251.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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 |
| 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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