Metabolite 5-fluorouridine-triphosphate
- Name
- 5-fluorouridine-triphosphate
- Description
- Not Available
- Structure
Structure for 5-fluorouridine-triphosphate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 502.13
Monoisotopic: 501.959106916 - Chemical Formula
- C9H14FN2O15P3
- InChI Key
- AREUQFTVCMGENT-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H14FN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(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](hydroxy)phosphoryl}oxy)phosphonic acid
- SMILES
- OC1C(O)C(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=C(F)C(=O)NC1=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 164.54333 predictedDeepCCS 1.0 (2019) [M+H]+ 166.90146 predictedDeepCCS 1.0 (2019) [M+Na]+ 174.524 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 368175
- Predicted Properties
Property Value Source Water Solubility 5.86 mg/mL ALOGPS logP 0.25 ALOGPS logP -3.2 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 0.9 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 258.92 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 85.39 m3·mol-1 Chemaxon Polarizability 35.63 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