Hexonic acid
PubChem CID: 604
Connections displayed (default: 10).
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| Compound Synonyms | 2,3,4,5,6-Pentahydroxyhexanoic acid, Hexonic acid, Gulonic, 6622-52-2, D-Galactonic Acid-d6, Isohexonic acid, NSC77381, Gluconic acid, technical, 5328-41-6, SCHEMBL433662, CHEMBL3039603, CHEBI:192972, RGHNJXZEOKUKBD-UHFFFAOYSA-N, AAA57636, AAA64299, 2,4,5,6-Pentahydroxyhexanoic acid, NSC231889, NSC-231889, SB47703, NCI60_001624, DS-003485, NS00096415, D-Gluconic acid, 50% w/w solution in water, 2AE9DBCC-AA23-41DF-A72A-3D31B8B4B1A1, Ultra-Mg [as magnesium salt dihydrate] (Salt/Mix), BRD-A63267145-001-01-0 |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 13.0 |
| Description | D-galactonate, also known as L-galactonic acid, belongs to medium-chain hydroxy acids and derivatives class of compounds. Those are hydroxy acids with a 6 to 12 carbon atoms long side chain. D-galactonate is soluble (in water) and a weakly acidic compound (based on its pKa). D-galactonate can be found in bitter gourd, which makes D-galactonate a potential biomarker for the consumption of this food product. D-galactonate may be a unique E.coli metabolite. D-galactonate is a non-carcinogenic (not listed by IARC) potentially toxic compound. Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism” (L228) (T3DB). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5,6-pentahydroxyhexanoic acid |
| Prediction Hob | 0.0 |
| Class | Hydroxy acids and derivatives |
| Xlogp | -3.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Medium-chain hydroxy acids and derivatives |
| Molecular Formula | C6H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGHNJXZEOKUKBD-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | 0.101 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.58 |
| Synonyms | D-galactonate, D-galactonic acid, (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one, 1,2,3,4,5-Pentahydroxycaproic acid delta-lactone, 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one, 3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-one, AMMONIUM GLUCONATE, D-mannonolactone, D(+)-gluconic acid gamma-lactone, Gamma-gluconolactone, GLC-d-lactone, Glucarolactone, Gluconic acid lactone (6CI), Gluconic acid, delta-lactone, d-, Glucono gamma-lactone, glucono-1,5-lactone, Gluconolactone (usp), Gluconolactone [usp], LGC, L-Galactonic acid, L-Galactonate, D-Galactonic acid, D-Gluconate MN(II) salt, Altronic acid |
| Compound Name | Hexonic 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| 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) |
| Smiles | C(C(C(C(C(C(=O)O)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Medium-chain hydroxy acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients