Galactaric acid
PubChem CID: 3037582
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| Compound Synonyms | mucic acid, galactaric acid, 526-99-8, Saccharolactic acid, Galactosaccharic acid, (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid, D-Galactaric acid, galactarate, Schleimsaure, meso-galactaric acid, Schleimsaure [German], Galactarsaeure, Galaktarsaeure, Mucinsaeure, Schleimsaeure, acido mucico, (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid, D-galactarate, acido galactarico, E149J5OTIF, MFCD00004239, Tetrahydroxyadipic acid, MUCILIANCE, DTXSID7048740, CHEBI:30852, ORISTAR MCA, HSDB 2116, NSC 8127, EINECS 208-404-0, 2,3,4,5-Tetrahydroxyhexanedioic acid, Galactaric acid, D-, BRN 1728117, GALACTARIC ACID [MI], AI3-06294, AI3-19582, GALACTARIC ACID [HSDB], 2R,3S,4R,5S-tetrahydroxy-hexanedioic acid, DTXCID0028666, 4-03-00-01292 (Beilstein Handbook Reference), NSC-8127, MUCICACID, SCHLEIMSAURE (GERMAN), CAS-526-99-8, UNII-E149J5OTIF, Saccharolactate, hexaric acid, d-Zuckersaure, Galactosaccharate, (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate, D-Mucic acid, strontium galactarate mono-hydrate, NCGC00096080-01, Galactaric acid, D, MUCIN, Mucic acid, 97%, Mucic acid, 98%, Tetrahydroxyhexanedioic acid, SCHEMBL5901, mucic acid (galactaric acid), GALACTARIC ACID [INCI], CHEMBL1232958, 2,3,4,5-Tetrahydroxyadipic Acid, GALACTARIC ACID, (+/-)-, Tox21_113190, 2,3,4,5Tetrahydroxyhexanedioic acid, BDBM50346168, LMFA01170107, AKOS016009395, Tox21_113190_1, CS-W015126, HY-W014410, MM47012, NCGC00344532-01, AS-35302, M0466, S3964, C00879, EN300-128455, Q424916, 5E407223-AAEF-4D79-BCED-63F0DECB8CE2, (R)-3-(pyrrolidin-2-ylethynyl)pyridine hemigalactarate, Tetrahydroxyadipic acid, Saccharolactic acid, Galactaric acid, 208-404-0, GAE |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 156.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | O[C@H][C@H]C=O)O))O))[C@H][C@@H]C=O)O))O))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P06133, P22310, P16662, P22309, O60656, P19224, Q9Y6L6, Q9NPD5, P54803, P08236 |
| Iupac Name | (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.5 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSLZVSRJTYRBFB-DUHBMQHGSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.157 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -1.979 |
| Synonyms | Acido galactarico, Acido mucico, Galactarsaeure, Galactosaccharic acid, Galaktarsaeure, Mucic acid, Mucinsaeure, Saccharolactic acid, Schleimsaeure, D-Mucic acid, D-Galactaric acid, Galactarate, Galactosaccharate, Mucate, Saccharolactate, D-Mucate, D-Galactarate, (2R,3S,4R,5S)-2,3,4,5-Tetrahydroxyhexanedioate, (2R,3S,4R,5S)-2,3,4,5-Tetrahydroxyhexanedioic acid, Hexaric acid, Meso-galactaric acid, Schleimsaure, Strontium galactarate mono-hydrate, Galactaric acid, sodium salt, mucic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | Galactaric acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 210.14 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 0.7684444000000001 |
| Inchi | InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4- |
| Smiles | [C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Glucuronic acid derivatives |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all