Metabolite Phosphate
- Name
- Phosphate
- Description
- Not Available
- Structure
Structure for Phosphate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 94.9714
Monoisotopic: 94.95342 - Chemical Formula
- O4P
- InChI Key
- NBIIXXVUZAFLBC-UHFFFAOYSA-K
- InChI
- InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
- IUPAC Name
- phosphate
- SMILES
- [O-]P([O-])([O-])=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 105.4805532 predictedDarkChem Lite v0.1.0 [M-H]- 111.7231 predictedDeepCCS 1.0 (2019) [M-H]- 105.4805532 predictedDarkChem Lite v0.1.0 [M-H]- 111.7231 predictedDeepCCS 1.0 (2019) [M+H]+ 113.752655 predictedDeepCCS 1.0 (2019) [M+H]+ 113.752655 predictedDeepCCS 1.0 (2019) [M+Na]+ 122.13096 predictedDeepCCS 1.0 (2019) [M+Na]+ 122.13096 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source logP -1 Chemaxon pKa (Strongest Acidic) 1.8 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 86.25 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 11.29 m3·mol-1 Chemaxon Polarizability 4.93 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