Metabolite GS-461203
- Name
- GS-461203
- Description
- Not Available
- Structure
Structure for GS-461203
- Synonyms
- Not Available
- UNII
- T90A75S60M
- CAS number
- Not Available
- Weight
- Average: 500.158
Monoisotopic: 499.97984236 - Chemical Formula
- C10H16FN2O14P3
- InChI Key
- IPHULAIUXUVCHH-WDKMEHGUSA-N
- InChI
- InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5?,7-,8-,10-/m1/s1
- IUPAC Name
- ({[({[(3R,4R,5R)-4-fluoro-3-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
- SMILES
- [H]C1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=CC(O)=NC2=O)[C@](C)(F)[C@]1([H])O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.79501 predictedDeepCCS 1.0 (2019) [M+H]+ 164.68971 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.48322 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 25.9 mg/mL ALOGPS logP 0.02 ALOGPS logP -1.8 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 0.9 Chemaxon pKa (Strongest Basic) -3.9 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 242.18 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 88.45 m3·mol-1 Chemaxon Polarizability 37.16 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