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114008-10-5 | Uridine, 3'-amino-2',3'-dideoxy-5-ethyl- (9CI)
CAS No: 114008-10-5 Catalog No: AG000AAR MDL No:
Product Description
Catalog Number:
AG000AAR
Chemical Name:
Uridine, 3'-amino-2',3'-dideoxy-5-ethyl- (9CI)
CAS Number:
114008-10-5
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
IUPAC Name:
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H17N3O4/c1-2-6-4-14(11(17)13-10(6)16)9-3-7(12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8+,9+/m0/s1
InChI Key:
FBWOQGFQMDSVMJ-DJLDLDEBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1N)n1cc(CC)c(=O)[nH]c1=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of pyrimidine nucleosides as antiviral agents for human immunodeficiency virus type 1 in peripheral blood mononuclear cells. | Journal of medicinal chemistry 19890301 |
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