Metabolite 5-fluouridine (5-FUR)
- Name
- 5-fluouridine (5-FUR)
- Description
- Not Available
- Structure
Structure for 5-fluouridine (5-FUR)
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 262.193
Monoisotopic: 262.060114245 - Chemical Formula
- C9H11FN2O6
- InChI Key
- FHIDNBAQOFJWCA-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)
- IUPAC Name
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
- SMILES
- OCC1OC(C(O)C1O)N1C=C(F)C(=O)NC1=O
- Reactions
- Capecitabine 5’-Deoxy-5-fluorocytidine (5'-DFCR)
- 5’-Deoxy-5-fluorocytidine (5'-DFCR) 5’-Deoxy-5-fluorouridine (5'DFUR)
- 5’-Deoxy-5-fluorouridine (5'DFUR) 5-fluorouracil
- 5-fluorouracil dihydrofluorouracil (DHFU)
- 5-fluorouracil 5-fluorodeoxyuridine (5-FUdR)
- 5-fluorouracil 5-fluorouridine monophosphate (5-FUMP)
- 5-fluorouracil 5-fluouridine (5-FUR)
- 5’-Deoxy-5-fluorouridine (5'DFUR) 5-fluorouracil
- 5’-Deoxy-5-fluorocytidine (5'-DFCR) 5’-Deoxy-5-fluorouridine (5'DFUR)
- Capecitabine 5’-Deoxy-5-fluorocytidine (5'-DFCR)
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0244535
- ChemSpider
- 1755
- Predicted Properties
Property Value Source Water Solubility 60.7 mg/mL ALOGPS logP -1.4 ALOGPS logP -2.2 Chemaxon logS -0.64 ALOGPS pKa (Strongest Acidic) 8.07 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 119.33 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 52.77 m3·mol-1 Chemaxon Polarizability 22.25 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon