ChemFOnt: Showing chemical card for Potassium alginate (CFc000336685)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:29:58 UTC

Chemfont ID

CFc000336685

Molecule Identification

Common Name

Potassium alginate

Definition

Stabiliser, emulsifier, thickener, formulation aid Potassium alginate is a chemical compound that is the potassium salt of alginic acid. It is an extract of seaweed and is used as a thickener in the food industry and as a gelling agent and emulsifier.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Alginic acid, sodium calcium	Generator

Chemical Formula

C₁₄H₂₂O₁₃

Average Molecular Weight

398.3167

Monoisotopic Molecular Weight

398.10604079

IUPAC Name

3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid

Traditional Name

3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid

CAS Registry Number

9005-36-1

SMILES

COC1OC(C(OC2OC(C(OC)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O

InChI Identifier

InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)

InChI Key

GKFPPCXIBHQRQT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glucuronides

Alternative Parents

Substituents

1-o-glucuronide
O-glucuronide
Disaccharide
Glycosyl compound
O-glycosyl compound
Dicarboxylic acid or derivatives
Oxane
Pyran
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Ether
Acetal
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Organoleptic effect

Odor

Odorless

Disposition

Source

Exogenous

Exogenous (FooDB: )

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	71.7 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-2.8	ChemAxon
logS	-0.74	ALOGPS
pKa (Strongest Acidic)	2.84	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	201.67 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	77.57 m³·mol⁻¹	ChemAxon
Polarizability	35.46 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB008907

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6850754

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Potassium alginate (CFc000336685)

MOL for CFc000336685 (Potassium alginate)

3D MOL for CFc000336685 (Potassium alginate)

3D SDF for CFc000336685 (Potassium alginate)

3D-SDF for CFc000336685 (Potassium alginate)

PDB for CFc000336685 (Potassium alginate)

3D PDB for CFc000336685 (Potassium alginate)

SMILES for CFc000336685 (Potassium alginate)

INCHI for CFc000336685 (Potassium alginate)

Structure for CFc000336685 (Potassium alginate)

3D Structure for CFc000336685 (Potassium alginate)