Metabolite 5’-Deoxy-5-fluorocytidine (5'-DFCR)
- Name
- 5’-Deoxy-5-fluorocytidine (5'-DFCR)
- Description
- Not Available
- Structure
Structure for 5’-Deoxy-5-fluorocytidine (5'-DFCR)
- Synonyms
- Not Available
- UNII
- 8RWB05I6ON
- CAS number
- Not Available
- Weight
- Average: 245.21
Monoisotopic: 245.081184041 - Chemical Formula
- C9H12FN3O4
- InChI Key
- YSNABXSEHNLERR-ZIYNGMLESA-N
- InChI
- InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1
- IUPAC Name
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-1,2-dihydropyrimidin-2-one
- SMILES
- C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(N)=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
- HMDB0060405
- KEGG Compound
- C16635
- ChemSpider
- 8213064
- ChEBI
- 80627
- ChEMBL
- CHEMBL3244492
- ZINC
- ZINC000021302830
- Predicted Properties
Property Value Source Water Solubility 5.16 mg/mL ALOGPS logP -1.1 ALOGPS logP -1.6 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 12.59 Chemaxon pKa (Strongest Basic) 1.76 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 108.38 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 53.2 m3·mol-1 Chemaxon Polarizability 21.78 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