Metabolite 5-fluorouridine diphosphate (5-FUDP)
- Name
- 5-fluorouridine diphosphate (5-FUDP)
- Description
- Not Available
- Structure
Structure for 5-fluorouridine diphosphate (5-FUDP)
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 422.151
Monoisotopic: 421.992776026 - Chemical Formula
- C9H13FN2O12P2
- InChI Key
- FOZCNVFQOJRHFF-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H13FN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)
- IUPAC Name
- [({[5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
- SMILES
- OC1C(O)C(OC1COP(O)(=O)OP(O)(O)=O)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
- ChemSpider
- 368899
- ChEMBL
- CHEMBL2009712
- Predicted Properties
Property Value Source Water Solubility 9.33 mg/mL ALOGPS logP -0.36 ALOGPS logP -2.8 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 1.77 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 212.39 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 74.51 m3·mol-1 Chemaxon Polarizability 31.18 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon