Metabolite Carbonate
- Name
- Carbonate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 60.0089
Monoisotopic: 59.984743866 - Chemical Formula
- CO3
- InChI Key
- BVKZGUZCCUSVTD-UHFFFAOYSA-L
- InChI
- InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
- IUPAC Name
- carbonate
- SMILES
- [O-]C([O-])=O
- Reactions
- Perboric acid Carbonate, Hydrogen peroxide, and Sodium carbonate
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 93.1937509 predictedDarkChem Lite v0.1.0 [M-H]- 93.2964509 predictedDarkChem Lite v0.1.0 [M-H]- 110.81642 predictedDeepCCS 1.0 (2019) [M-H]- 93.1937509 predictedDarkChem Lite v0.1.0 [M-H]- 93.2964509 predictedDarkChem Lite v0.1.0 [M-H]- 110.81642 predictedDeepCCS 1.0 (2019) [M+H]+ 112.64902 predictedDeepCCS 1.0 (2019) [M+H]+ 112.64902 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.36902 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.36902 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source Water Solubility 756.0 mg/mL ALOGPS logP -0.53 ALOGPS logP 0.25 Chemaxon logS 0.9 ALOGPS pKa (Strongest Acidic) 6.05 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 63.19 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 31.17 m3·mol-1 Chemaxon Polarizability 3.52 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