Metabolite 5-Hydroxyfluvastatin
- Name
- 5-Hydroxyfluvastatin
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 427.4653
Monoisotopic: 427.179501152 - Chemical Formula
- C24H26FNO5
- InChI Key
- YCXJQQVRCVXLTP-CLFQVBOOSA-N
- InChI
- InChI=1S/C24H26FNO5/c1-14(2)26-21-9-7-18(28)12-20(21)24(15-3-5-16(25)6-4-15)22(26)10-8-17(27)11-19(29)13-23(30)31/h3-10,12,14,17,19,27-29H,11,13H2,1-2H3,(H,30,31)/b10-8+/t17-,19-/m0/s1
- IUPAC Name
- (3S,5R,6E)-7-[3-(4-fluorophenyl)-5-hydroxy-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
- SMILES
- [H]\C(=C(\[H])[C@]([H])(O)C[C@]([H])(O)CC(O)=O)C1=C(C2=C(C=CC(O)=C2)N1C(C)C)C1=CC=C(F)C=C1
- Reactions
- Fluvastatin 5-Hydroxyfluvastatin
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 217.0396857 predictedDarkChem Lite v0.1.0 [M-H]- 217.0396857 predictedDarkChem Lite v0.1.0 [M-H]- 200.77843 predictedDeepCCS 1.0 (2019) [M-H]- 200.77843 predictedDeepCCS 1.0 (2019) [M+H]+ 219.5586857 predictedDarkChem Lite v0.1.0 [M+H]+ 219.5586857 predictedDarkChem Lite v0.1.0 [M+H]+ 203.174 predictedDeepCCS 1.0 (2019) [M+H]+ 203.174 predictedDeepCCS 1.0 (2019) [M+Na]+ 217.2713857 predictedDarkChem Lite v0.1.0 [M+Na]+ 217.2713857 predictedDarkChem Lite v0.1.0 [M+Na]+ 209.08653 predictedDeepCCS 1.0 (2019) [M+Na]+ 209.08653 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0014039
- ChemSpider
- 30776730
- ZINC
- ZINC000095617674
- Predicted Properties
Property Value Source Water Solubility 0.0125 mg/mL ALOGPS logP 3.76 ALOGPS logP 3.52 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 4.54 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 102.92 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 116.84 m3·mol-1 Chemaxon Polarizability 44.86 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon