Propynyloxy-2'-deoxyuridine
Basic information
- CAS
65367-85-3- Standard SMILES
C#CCOc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
GSTKQPVPFHMJNK-FXBDTBDDSA-N- Molecular formula
- C12H14N2O6
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.08518617
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Propynyloxy-2'-deoxyuridine
- IUPAC
- 1-[(2R,4S,5R)-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
65367-85-3Propynyloxy-2'-deoxyuridineRefChem:176565Uridine, 2'-deoxy-5-(2-propynyloxy)-5-(propargyloxy)-2'-deoxyuridine2'-Deoxy-5-propargyloxyuridine2'-deoxy-5-(2-propynyloxy)uridine1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxypyrimidine-2,4-dione1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(prop-2-yn-1-yloxy)pyrimidine-2,4(1H,3H)-dione1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-2-ynoxy-pyrimidine-2,4-dione2'-Deoxy-5-propargyloxy-D-uridine5-Propynyloxy-dUrd
Show more names
Uridine, 2'-deoxy-5-(2-propynyloxy)- (9CI)2′-Deoxy-5-propargyloxyuridine, CAS 65367-85-3
SCHEMBL14176685-Propargyloxy-2'-deoxyuridineCHEMBL3143044ND08234NSC 2674591-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(prop-2-yn-1-yloxy)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Database identifiers
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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