ChemFOnt: Showing chemical card for D-Gluconic acid NH4 salt (CFc000336098)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:29:02 UTC

Chemfont ID

CFc000336098

Molecule Identification

Common Name

D-Gluconic acid NH4 salt

Definition

Sequestrant used in foods A lactone or oxidized derivative of glucose. Gluconolactone is a polyhydroxy acid (PHA) that is capable of chelating metals and may also function by scavenging free radicals, thereby protecting skin from some of the damaging effects of UV radiationand is) also used as a pheromone by the oriental cockroach.; Glucono delta-lactone (GDL) E575 is a naturally-occurring food additive used as a sequestrant, an acidifier, or a curing, pickling, or leavening agent. It is a lactone (cyclic ester) of D-gluconic acid. Pure GDL is a white odorless crystalline powder.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
L-Galactonic acid	Kegg
L-Galactonate	Generator
D-Galactonic acid	Generator
D-Gluconate MN(II) salt	Generator
Altronic acid	MeSH

Chemical Formula

C₆H₁₂O₇

Average Molecular Weight

196.1553

Monoisotopic Molecular Weight

196.058302738

IUPAC Name

2,3,4,5,6-pentahydroxyhexanoic acid

Traditional Name

magnesium gluconate anhydrous

CAS Registry Number

2554-04-3

SMILES

OCC(O)C(O)C(O)C(O)C(O)=O

InChI Identifier

InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)

InChI Key

RGHNJXZEOKUKBD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Medium-chain hydroxy acids and derivatives

Direct Parent

Medium-chain hydroxy acids and derivatives

Alternative Parents

Substituents

Medium-chain hydroxy acid
Medium-chain fatty acid
Beta-hydroxy acid
Hydroxy fatty acid
Alpha-hydroxy acid
Monosaccharide
Fatty acyl
Fatty acid
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary alcohol
Alcohol
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Exogenous (FooDB: )

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	159 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.4	ChemAxon
logS	-0.09	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	138.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	38.27 m³·mol⁻¹	ChemAxon
Polarizability	16.83 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0184581

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB001855

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C15930

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

604

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for D-Gluconic acid NH4 salt (CFc000336098)

MOL for CFc000336098 (D-Gluconic acid NH4 salt)

3D MOL for CFc000336098 (D-Gluconic acid NH4 salt)

3D SDF for CFc000336098 (D-Gluconic acid NH4 salt)

3D-SDF for CFc000336098 (D-Gluconic acid NH4 salt)

PDB for CFc000336098 (D-Gluconic acid NH4 salt)

3D PDB for CFc000336098 (D-Gluconic acid NH4 salt)

SMILES for CFc000336098 (D-Gluconic acid NH4 salt)

INCHI for CFc000336098 (D-Gluconic acid NH4 salt)

Structure for CFc000336098 (D-Gluconic acid NH4 salt)

3D Structure for CFc000336098 (D-Gluconic acid NH4 salt)