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28616-91-3 | Uridine, 2',3'-dideoxy-, 5'-benzoate
CAS No: 28616-91-3 Catalog No: AG002VVP MDL No:
Product Description
Catalog Number:
AG002VVP
Chemical Name:
Uridine, 2',3'-dideoxy-, 5'-benzoate
CAS Number:
28616-91-3
Molecular Formula:
C16H16N2O5
Molecular Weight:
316.3086
IUPAC Name:
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C16H16N2O5/c19-13-8-9-18(16(21)17-13)14-7-6-12(23-14)10-22-15(20)11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H,17,19,21)/t12-,14+/m0/s1
InChI Key:
PBFATPYEUBCWJS-GXTWGEPZSA-N
SMILES:
O=C(c1ccccc1)OC[C@@H]1CC[C@@H](O1)n1ccc(=O)[nH]c1=O
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
316.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.313g/mol
Monoisotopic Mass:
316.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro evaluation of some modified 4-thiopyrimidine nucleosides for prevention or reversal of AIDS-associated neurological disorders. | Journal of medicinal chemistry 19900101 |
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