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Home > Fluorides > 294840-18-9
294840-18-9 | Uridine, 2'-deoxy-5-fluoro-3-(2-oxopropyl)-
CAS No: 294840-18-9 Catalog No: AG002YJ5 MDL No:
Product Description
Catalog Number:
AG002YJ5
Chemical Name:
Uridine, 2'-deoxy-5-fluoro-3-(2-oxopropyl)-
CAS Number:
294840-18-9
Molecular Formula:
C12H15FN2O6
Molecular Weight:
302.2557
IUPAC Name:
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-oxopropyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H15FN2O6/c1-6(17)3-15-11(19)7(13)4-14(12(15)20)10-2-8(18)9(5-16)21-10/h4,8-10,16,18H,2-3,5H2,1H3/t8-,9+,10+/m0/s1
InChI Key:
AXPDYMRBWDOQKP-IVZWLZJFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)n(c1=O)CC(=O)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
302.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.258g/mol
Monoisotopic Mass:
302.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and one-electron reduction characteristics of radiation-activated prodrugs possessing two 5-fluorodeoxyuridine units. | Bioorganic & medicinal chemistry 20120901 |
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