SRT
S,R MESO-TARTARIC ACID
| Created: | 2005-09-15 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 16 |
| Chiral Atom Count | 2 |
| Bond Count | 15 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | S,R MESO-TARTARIC ACID |
| Systematic Name (OpenEye OEToolkits) | (2S,3R)-2,3-dihydroxybutanedioic acid |
| Formula | C4 H6 O6 |
| Molecular Weight | 150.087 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)C(O)C(=O)O |
| SMILES | CACTVS | 3.341 | O[CH]([CH](O)C(O)=O)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)O)(C(=O)O)O |
| Canonical SMILES | CACTVS | 3.341 | O[C@@H]([C@@H](O)C(O)=O)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | [C@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+ |
| InChIKey | InChI | 1.03 | FEWJPZIEWOKRBE-XIXRPRMCSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| DrugBank ID | DB14756 |
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| Name | meso-Tartaric acid |
| Groups | experimental |
| Synonyms |
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| CAS number | 147-73-9 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 447315 |
| ChEMBL | CHEMBL225983 |
| ChEBI | CHEBI:15673 |
| CCDC/CSD | ANOMAS, KIMBEQ, FINTAZ02, FINTAZ03, KILNAX, IQOMIM01, IQOMIM02, IQOMIM07, IQOMIM05, IQOMIM04, IQOMIM06, IQOMIM22, ANOLIZ, IQOMIM03, IQOMIM08, IQOMIM09, DIZSUD, IRACAH, KAYZIT, HUTRIA, ANOLUL, BOWKAA, ACETEJ, IQOMIM, IQOMIM12, IXOVUN, IQOMIM14, IQOMIM19, IQOMIM20, IQOMIM18, IQOMIM17, IQOMIM15, IQOMIM13, ACESAE, IQOMIM16, IQOMIM11, IZAHID |
| COD | 7225609, 7225610, 7241735, 7225615, 7225613, 7225612, 7225614, 2311127, 7205663, 7225611, 7225616, 2021506, 2021505, 7225617, 2021501, 2200365, 2021508, 2021500, 2021507, 2021499, 2021502, 7200948, 2011939, 1520169, 2021504, 7205665, 2021503, 7225628, 7225631, 7225633, 7225638, 7225637, 7225636, 7225634, 7225632, 7225635, 7225630, 7225629 |














