Galacturonic Acid

HCID 84740

Notes Reactions

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Basic information

CAS: 14982-50-4
Standard SMILES: O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O
InChIKey: IAJILQKETJEXLJ-RSJOWCBRSA-N
Molecular formula: C6H10O7
Average molar mass: 194.14 g/mol

Overview

Aldehydo-D-galacturonic acid is a D-galacturonic acid. It is a conjugate acid of an aldehydo-D-galacturonate.

Names & identifiers

Preferred name: Galacturonic Acid
IUPAC: (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
English name: galacturonic acid
Molecular formula: C6H10O7
Molecular weight: 194.14

Names & synonyms

4JK6RN80GFRefChem:922006GlyTouCan:G84837AKCHEBI:33830G84837AK239-061-514982-50-4DL-Galacturonic acid(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acidPolygalacturonic Acid (Technical Grade)UNII-VV3XD4CL04DL-Galacturonicacid

Show more names

Einecs 239-061-5galacturonic acidbeta-D-galacturonic acidD-Galacturonic acid -14982-50-4

DGUEINECS 211-682-6NSC 212542Anhydrogalacturonic acidUNII-2ENU0N1DRPUNII-4JK6RN80GFSCHEMBL6457aldehydo-D-galacturonic acid

Database identifiers

CAS: 14982-50-4、25249-06-3、34150-36-2、685-73-4
PubChem CID: 84740
DTXSID: DTXSID00873872
ChEBI: CHEBI:47962
UNII: 2ENU0N1DRP、4JK6RN80GF
EC Number: 239-061-5
Nikkaji: J82.118G

Properties

Computed structural properties

XLogP: -2.6
Topological polar surface area: 135 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

CosmeticsCosmetic ingredients (Galacturonic Acid) -> CIR (Cosmetic Ingredient Review)

Melting Point166.00 °C. @ 760.00 mm Hg

Physical DescriptionSolid

Physicochemical properties

Boiling point: 553.4 · 553.4±50.0 °C(Predicted)
Density: 1.748 · 1.748±0.06 g/cm3(Predicted)
pka: 3.3 · 3.30±0.35(Predicted)
Cosmetic Ingredient Review (CIR): galacturonic acid (14982-50-4)
EWG's Food Scores: 1 · 1
FDA UNII: 4 JK6RN80GF · 4JK6RN80GF

Safety & regulation

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org