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125391-75-5 | Adenosine, 2-amino-3'-deoxy-3'-fluoro- (9CI)
CAS No: 125391-75-5 Catalog No: AG000NMF MDL No:
Product Description
Catalog Number:
AG000NMF
Chemical Name:
Adenosine, 2-amino-3'-deoxy-3'-fluoro- (9CI)
CAS Number:
125391-75-5
Molecular Formula:
C10H13FN6O3
Molecular Weight:
284.2470
IUPAC Name:
(2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C10H13FN6O3/c11-4-3(1-18)20-9(6(4)19)17-2-14-5-7(12)15-10(13)16-8(5)17/h2-4,6,9,18-19H,1H2,(H4,12,13,15,16)/t3-,4-,6-,9-/m1/s1
InChI Key:
BBWXIJICDDYYJZ-DXTOWSMRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1cnc2c1nc(N)nc2N
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
284.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
284.251g/mol
Monoisotopic Mass:
284.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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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