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125362-06-3 | Adenosine, 5'-amino-3',5'-dideoxy-3'-fluoro- (9CI)
CAS No: 125362-06-3 Catalog No: AG000NJQ MDL No:
Product Description
Catalog Number:
AG000NJQ
Chemical Name:
Adenosine, 5'-amino-3',5'-dideoxy-3'-fluoro- (9CI)
CAS Number:
125362-06-3
Molecular Formula:
C10H13FN6O2
Molecular Weight:
268.2476
IUPAC Name:
(2R,3S,4S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
InChI:
InChI=1S/C10H13FN6O2/c11-5-4(1-12)19-10(7(5)18)17-3-16-6-8(13)14-2-15-9(6)17/h2-5,7,10,18H,1,12H2,(H2,13,14,15)/t4-,5-,7-,10-/m1/s1
InChI Key:
JAVBHBHAMQYQAN-QYYRPYCUSA-N
SMILES:
NC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1cnc2c1ncnc2N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
268.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.252g/mol
Monoisotopic Mass:
268.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| 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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