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114008-12-7 | Uridine, 2',3'-dideoxy-5-ethyl-3'-iodo-
CAS No: 114008-12-7 Catalog No: AG000AAQ MDL No:
Product Description
Catalog Number:
AG000AAQ
Chemical Name:
Uridine, 2',3'-dideoxy-5-ethyl-3'-iodo-
CAS Number:
114008-12-7
Molecular Formula:
C11H15IN2O4
Molecular Weight:
366.1523
IUPAC Name:
5-ethyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H15IN2O4/c1-2-6-4-14(11(17)13-10(6)16)9-3-7(12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8+,9+/m0/s1
InChI Key:
CAYKSEIJSFVTJG-DJLDLDEBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1I)n1cc(CC)c(=O)[nH]c1=O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
366.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.155g/mol
Monoisotopic Mass:
366.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activities of 5-alkyl (or halo)-3'-substituted pyrimidine nucleoside analogs. | Bioorganic & medicinal chemistry letters 20120115 |
| 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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