Metabolite sulfate
- Name
- sulfate
- Description
- Not Available
- Structure
Structure for sulfate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 96.063
Monoisotopic: 95.951729178 - Chemical Formula
- O4S
- InChI Key
- QAOWNCQODCNURD-UHFFFAOYSA-L
- InChI
- InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
- IUPAC Name
- sulfate
- SMILES
- [O-]S([O-])(=O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 103.6056324 predictedDarkChem Lite v0.1.0 [M-H]- 106.555504 predictedDeepCCS 1.0 (2019) [M-H]- 103.6056324 predictedDarkChem Lite v0.1.0 [M-H]- 106.555504 predictedDeepCCS 1.0 (2019) [M+H]+ 109.33417 predictedDeepCCS 1.0 (2019) [M+H]+ 109.33417 predictedDeepCCS 1.0 (2019) [M+Na]+ 117.68899 predictedDeepCCS 1.0 (2019) [M+Na]+ 117.68899 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source logP -0.84 Chemaxon pKa (Strongest Acidic) -3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 80.26 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 11.53 m3·mol-1 Chemaxon Polarizability 5.81 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon