2'-Deoxy-5-propargyloxyuridine
Basic information
- CAS
65367-85-3- Standard SMILES
C#CCOc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O- InChIKey
GSTKQPVPFHMJNK-UHFFFAOYSA-N- Molecular formula
- C12H14N2O6
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.08518617
Names & identifiers
- Preferred name
- 2'-Deoxy-5-propargyloxyuridine
- IUPAC
- 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxypyrimidine-2,4-dione
- English name
- 5-(Propargyloxy)-2'-deoxyuridine
- Molecular formula
- C12H14N2O6
- Molecular weight
- 282.25
Names & synonyms
2'-Deoxy-5-propargyloxyuridineDTXSID20983982NSC267459NSC-2674591-(2-Deoxypentofuranosyl)-4-hydroxy-5-[(prop-2-yn-1-yl)oxy]pyrimidin-2(1H)-onepropynyloxy-2'-deoxyuridine5-(Propargyloxy)-2'-deoxyuridine2'-deoxy-5-(2-propynyloxy)uridineUridine, 2'-deoxy-5-(2-propynyloxy)-Uridine, 2'-deoxy-5-(2-propynyloxy)- (9CI)2′-Deoxy-5-propargyloxyuridine, CAS 65367-85-31-((2r,4s,5r)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(prop-2-yn-1-yloxy)pyrimidine-2,4(1h,3h)-dione
Database identifiers
- CAS
65367-85-3- PubChem CID
- 320349
- DTXSID
DTXSID20983982
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Density
- 1.41 g/cm³ · 1.41 g/cm³
- pka
- 8.408 · 8.408±0.10(predicted)
Chemistry & industry
Applications
Uses5-(Propargyloxy)-2''-deoxyuridine can be used in therapeutic use and biological study of ethoxydeoxyuridine potentiation of antitumor activity of 5-fluorouracil in combination with interferon, and preparation and activity of deoxyuridine derivatives.
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Compound notes
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