2',2'-DIFLUORODEOXYURIDINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y30D8SIL1I
EPA CompTox DTXSID50891460

Structure

InChI Key FIRDBEQIJQERSE-QPPQHZFASA-N
Smiles O=C/1NC(=O)N(C=C1)[C@@H]2O[C@@H]([C@@H](O)C2(F)F)CO
InChI
InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)/t4-,6-,7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10F2N2O5
Molecular Weight 264.06
AlogP -1.17
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.81
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 114248-23-6
NORMAN SUSDAT
FDA SRS Y30D8SIL1I
PubChem 9871558
ChemSpider 8047247.0
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