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117723-56-5 | Uridine, 2',3'-didehydro-2',3'-dideoxy-5-ethyl- (9CI)
CAS No: 117723-56-5 Catalog No: AG000HPH MDL No:
Product Description
Catalog Number:
AG000HPH
Chemical Name:
Uridine, 2',3'-didehydro-2',3'-dideoxy-5-ethyl- (9CI)
CAS Number:
117723-56-5
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
5-ethyl-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H14N2O4/c1-2-7-5-13(11(16)12-10(7)15)9-4-3-8(6-14)17-9/h3-5,8-9,14H,2,6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1
InChI Key:
WQGMBIROMCAHKJ-DTWKUNHWSA-N
SMILES:
OC[C@@H]1C=C[C@@H](O1)n1cc(CC)c(=O)[nH]c1=O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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 |
| Comparative activity of 2',3'-saturated and unsaturated pyrimidine and purine nucleosides against human immunodeficiency virus type 1 in peripheral blood mononuclear cells. | Biochemical pharmacology 19881001 |
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