3'-Deoxy-5-methoxyuridine
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Basic information
- CAS
2095417-49-3- Standard SMILES
COc1cn([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)[nH]c1=O- InChIKey
QAOLFGCSNYUCSI-CCGCGBOQSA-N- Molecular formula
- C10H14N2O6
- Average molar mass
- 258.23 g/mol
Names & identifiers
- Preferred name
- 3'-Deoxy-5-methoxyuridine
- IUPAC
- 1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
- English name
- 3'-Deoxy-5-methoxyuridine
- Molecular formula
- C10H14N2O6
- Molecular weight
- 258.23
Names & synonyms
2095417-49-33'-Deoxy-5-methoxyuridineorb1908726TNU02531-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione3’-Deoxy-5-methoxyuridine1-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methoxypyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
2095417-49-3
Properties
Computed structural propertiesFilling in
- XLogP
- -1.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 8 · 8+-.0.10(Predicted)
Chemistry & industry
Applications
Uses3’-Deoxy-5-methoxyuridine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Related reactions
0 records
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Compound notes
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