Tartrate
precursor
Showing entry for Tartrate
Identification
- PhytoHub ID
- PHUB002333
- Name
- Tartrate
- Systematic Name
- 2,3-dihydroxybutanedioate
- Synonyms
- (+)-(2R,3R)-Tartaric acid
- (+)-(R,R)-Tartarate
- (+)-L-Tartarate
- (1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid
- CAS Number
- Not Available
- Average Mass
- 148.071
- Monoisotopic Mass
- 148.001885009
- Chemical Formula
- C4H4O6
- IUPAC Name
- 2,3-dihydroxybutanedioate
- InChI Key
- FEWJPZIEWOKRBE-UHFFFAOYSA-L
- InChI Identifier
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2
- SMILES
OC(C(O)C([O-])=O)C([O-])=O
- Structure
Structure for Tartrate
Calculated Properties
- Solubility (ALOGPS)
- 7.86e+02 g/l
- LogS (ALOGPS)
- 0.63
- LogP (ALOGPS)
- -1.25
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 3
- Polar Surface Area
- 120.72
- Refractivity
- 47.8876
- Polarizability
- 10.769776884550005
- Formal Charge
- -2
- Physiological Charge
- -2
- pKa (strongest basic)
- -4.330574673439461
- pKa (strongest acidic)
- 2.719041003817166
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 3806114
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Miscellaneous phytochemicals
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| LC-MS/MS | ESI- LC-Q-TOF/MS | Negative | low | View Spectrum | (59.0158,0.085);(72.9935,0.302);(74.9899,0.059);(87.0094,0.651);(103.0044,0.086);(104.9287,0.074);(148.903,0.178);(149.0086,0.999) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Red wine grape | Beverages, Alcoholic | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available