Gluconic Acid
PubChem CID: 10690
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| Compound Synonyms | gluconic acid, D-gluconic acid, 526-95-4, dextronic acid, maltonic acid, Glycogenic acid, (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid, Glosanto, Pentahydroxycaproic acid, gluconate, Gluconic acid, D-, D-Gluco-hexonic acid, Glyconic acid, Gluconic acid (VAN), 133-42-6, HSDB 487, D-Gluconsaeure, D-Glukonsaeure, BRN 1726055, EINECS 208-401-4, UNII-R4R8J0Q44B, NSC 77381, R4R8J0Q44B, DTXSID8027169, CHEBI:33198, 2,3,4,5,6-Pentahydroxyhexanoic acid, GLUCONAL GA-50, Hexonic acid, DTXCID307169, INS NO.574, DTXSID8042000, INS-574, EC 208-401-4, 4-03-00-01255 (Beilstein Handbook Reference), Dextronate, Glycogenate, Glyconate, Maltonate, NSC-77381, E-574, GCO, GLUCONIC ACID (MART.), GLUCONIC ACID [MART.], AMMONIUM GLUCONATE, D-Gluconic Acid (50% in Water), 124423-64-9, 19222-41-4, NSC77381, sodium-gluconate, ketogluconic acid, D-?Gluconic acid, Pentahydroxycaproate, MFCD00004240, SCHEMBL971, bmse000084, GLUCONIC ACID [MI], Pesticide Code: 000104, GLUCONIC ACID [HSDB], GLUCONIC ACID [VANDF], CHEMBL464345, D-Gluconic acid 50% in water, GLUCONIC ACID [WHO-DD], CHEBI:24266, DTXCID201012074, GluconicAcid(containsGluconolactone), HY-Y0569, 2,3,4,5,6-pentahydroxy-hexanoate, Tox21_202745, s3595, 2,3,4,5,6-Pentahydroxycaproic acid, AKOS015895892, DB13180, 2,3,4,5,6-pentahydroxy-hexanoic acid, GLUCONIC ACID (50% IN WATER), NCGC00260293-01, CAS-526-95-4, E574, CS-0015343, G0036, NS00008847, 2,3,4,5,6-Pentahydroxycaproic acid solution, C00257, D70789, SBI-0635367.0002, EN300-7392806, Q407569, BRD-K93201765-001-01-0, 6E52B5FC-5676-4139-977A-4D643EDDB159, 208-401-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OC[C@H][C@H][C@@H][C@H]C=O)O))O))O))O))O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Description | It is used to improve purifn. of sugar cane by eliminating filtration and crystallisation problems. Hydrolyses the 1,6-a-D-glucosidic linkages in dextran |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Enzyme Uniprot Id | Q5T6J7 |
| Uniprot Id | Q15493, Q5T6J7, n.a., P0DTD1 |
| Iupac Name | (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -3.4 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGHNJXZEOKUKBD-SQOUGZDYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8333333333333334 |
| Logs | 0.168 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -2.566 |
| Synonyms | 1,6-a-D-Glucan 6-glucanohydrolase, Dextron hydrolase, E.C. 3.2.1.11, Endodextranase, (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoate, (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic acid, 2,3,4,5,6-pentahydroxy-hexanoate, 2,3,4,5,6-pentahydroxy-hexanoic acid, 2,3,4,5,6-Pentahydroxycaproic acid, 2,3,4,5,6-Pentahydroxyhexanoate, 2,3,4,5,6-Pentahydroxyhexanoic acid, D-gluco-Hexonate, D-gluco-hexonic acid, D-gluconate, D-gluconic acid, D-Gluconsaeure, D-Glukonsaeure, Dextronate, Dextronic acid, E574, GCO, Glosanto, Gluconate, Gluconic acid, Gluconic acid, d-, Glycogenate, Glycogenic acid, Glyconate, Glyconic acid, Gulonic acid, Hexonate, Hexonic acid, Maltonate, Pentahydroxycaproate, Pentahydroxycaproic acid, D-Gluco-hexonic acid, Maltonic acid, D-Gluconate, D-Gluco-hexonate, D-Gluconic acid, 2,3,4,5,6-Pentahydroxy-hexanoate, 2,3,4,5,6-Pentahydroxy-hexanoic acid, Boron gluconate, Gluconic acid, (113)indium-labeled, Gluconic acid, calcium salt, Gluconic acid, cesium(+3) salt, Gluconic acid, lanthanum(+3) salt, Gluconic acid, sodium salt, Gluconic acid, strontium (2:1) salt, Magnerot, Manganese gluconate, Sodium gluconate, Zinc gluconate, Gluconic acid, (159)dysprosium-labeled salt, Gluconic acid, aluminum (3:1) salt, Gluconic acid, ammonium salt, Gluconic acid, magnesium (2:1) salt, Gluconic acid, (14)C-labeled, Gluconic acid, 1-(14)C-labeled, Gluconic acid, 6-(14)C-labeled, Gluconic acid, cobalt (2:1) salt, Gluconic acid, copper salt, Gluconic acid, manganese (2:1) salt, Gluconic acid, potassium salt, Gluconic acid, tin(+2) salt, Gluconic acid, zinc salt, Lithium gluconate, Magnesium gluconate, Gluconic acid, (99)technecium (5+) salt, Gluconic acid, fe(+2) salt, dihydrate, Gluconic acid, monolithium salt, Gluconic acid, monopotassium salt, Gluconic acid, monosodium salt, gluconic acid |
| Substituent Name | Gluconic_acid, Medium-chain hydroxy acid, Medium-chain fatty acid, Beta-hydroxy acid, Fatty acyl, Fatty acid, Monosaccharide, Hydroxy acid, Alpha-hydroxy acid, Secondary alcohol, Polyol, 1,2-diol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Primary alcohol, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | Gluconic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 196.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 196.16 |
| 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 | 1.3969390000000002 |
| Inchi | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 |
| Smiles | C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Sugar acids and derivatives |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Arvense (Plant) Rel Props:Reference:ISBN:9788185042084 - 2. Outgoing r'ship
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FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all