Tartronic acid
PubChem CID: 45
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| Compound Synonyms | Tartronic acid, 80-69-3, 2-Hydroxymalonic acid, Hydroxymalonic acid, 2-Hydroxypropanedioic acid, Propanedioic acid, hydroxy-, 2-Tartronic acid, hydroxypropanedioic acid, 2-hydroxymalonate, MALONIC ACID, HYDROXY-, CHEBI:16513, hydroxy-malonic acid, Tartronicacid, Tartronic acid, 8CI, UNII-34T0025E0L, EINECS 201-301-1, NSC 36171, NSC-36171, 34T0025E0L, TARTRONIC ACID [MI], CHEMBL1794676, DTXSID6075358, .ALPHA.-HYDROXYMALONIC ACID, C3H4O5, MFCD00004237, 2-Tartronate, 2-Hydroxymalonicacid, 4m6u, alpha-hydroxymalonic acid, HydroxymalonsA currencyure, Triadimenol metabolite P06, hydron, 2-hydroxypropanedioate, SCHEMBL15060, Tartronic acid, >=97.0%, DTXCID2048167, Propanedioic acid, hydroxy-(9CI), NSC36171, Propanedioic acid, hydroxy- (9CI), BDBM50038354, AKOS001115605, CS-W013581, AS-14777, NS00038080, EN300-18772, C02287, H10518, Q425473, Z90123595, F3F5D7E2-8FF8-4206-8F30-077B0F85979B, 201-301-1 |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Description | Tartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. Hydroxypropanedioic acid is found in potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00204, P22309, Q16798, P23368, Q9QZX7 |
| Iupac Name | 2-hydroxypropanedioic acid |
| Prediction Hob | 1.0 |
| Class | Hydroxy acids and derivatives |
| Xlogp | -1.1 |
| Superclass | Organic acids and derivatives |
| Subclass | Alpha hydroxy acids and derivatives |
| Molecular Formula | C3H4O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROBFUDYVXSDBQM-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.257 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -1.061 |
| Synonyms | 2-Hydroxymalonate, 2-Hydroxymalonic acid, 2-Hydroxypropanedioate, 2-Hydroxypropanedioic acid, 2-Tartronate, 2-Tartronic acid, Hydroxy-malonic acid, Hydroxymalonate, Hydroxymalonic acid, Malonic acid, hydroxy-, Propanedioic acid, hydroxy- (9CI), Tartronate, Tartronic acid, Tartronic acid, 8CI, Hydroxypropanedioate, Propanedioic acid, hydroxy- (9ci), Tartronic acid, 8ci |
| Substituent Name | 1,3-dicarbonyl compound, Monosaccharide, Dicarboxylic acid or derivatives, Saccharide, Alpha-hydroxy acid, Secondary alcohol, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | Tartronic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 120.006 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.006 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 120.06 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.22172800000000026 |
| Inchi | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8) |
| Smiles | C(C(=O)O)(C(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all