Metabolite 5-fluorodeoxyuridine diphosphate (5-FdUDP)
- Name
- 5-fluorodeoxyuridine diphosphate (5-FdUDP)
- Description
- Not Available
- Structure
Structure for 5-fluorodeoxyuridine diphosphate (5-FdUDP)
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 406.152
Monoisotopic: 405.997861406 - Chemical Formula
- C9H13FN2O11P2
- InChI Key
- HKUJAJKSNVIDLX-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H13FN2O11P2/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(22-7)3-21-25(19,20)23-24(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,11,14,15)(H2,16,17,18)
- IUPAC Name
- [({[5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
- SMILES
- OC1CC(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
- Not Available
- Predicted Properties
Property Value Source Water Solubility 7.14 mg/mL ALOGPS logP -0.54 ALOGPS logP -1.9 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 1.77 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 192.16 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 73 m3·mol-1 Chemaxon Polarizability 30.8 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