Metabolite 5-fluorodeoxyuridine (5-FUdR)
- Name
- 5-fluorodeoxyuridine (5-FUdR)
- Description
- Not Available
- Structure
Structure for 5-fluorodeoxyuridine (5-FUdR)
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 246.194
Monoisotopic: 246.065199625 - Chemical Formula
- C9H11FN2O5
- InChI Key
- ODKNJVUHOIMIIZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
- IUPAC Name
- 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
- SMILES
- OCC1OC(CC1O)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
- HMDB0246790
- ChemSpider
- 3246
- ChEBI
- 94445
- ChEMBL
- CHEMBL6628
- Predicted Properties
Property Value Source Water Solubility 40.8 mg/mL ALOGPS logP -1.2 ALOGPS logP -1.3 Chemaxon logS -0.78 ALOGPS pKa (Strongest Acidic) 8.08 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 99.1 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 51.26 m3·mol-1 Chemaxon Polarizability 21.42 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