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Identification
Name Gluconolactone
Accession Number DB04564 (EXPT02023)
Type small molecule
Groups experimental
Description

Gluconolactone is a naturally-occurring food additive used as a sequestrant, an acidifier, or a curing, pickling, or leavening agent. It is a cyclic ester of D-gluconic acid. Pure gluconolactone is a white odorless crystalline powder.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 90-80-2
Weight Average: 178.14
Monoisotopic: 178.047738052
Chemical Formula C6H10O6
InChI Key InChIKey=PHOQVHQSTUBQQK-SQOUGZDYSA-N
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
Plain Text
IUPAC Name
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
SMILES
OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
water solubility 5.9E+005 mg/L (at 25 °C) MERCK INDEX (1996)
Predicted Properties
Property Value Source
water solubility 5.86e+02 g/l ALOGPS
logP -2.2 ALOGPS
logP -2.7 ChemAxon
logS 0.52 ALOGPS
pKa (strongest acidic) 11.62 ChemAxon
pKa (strongest basic) -3 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 5 ChemAxon
hydrogen donor count 4 ChemAxon
polar surface area 107.22 ChemAxon
rotatable bond count 1 ChemAxon
refractivity 34.78 ChemAxon
polarizability 15.63 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Drug D04332 Link_out
KEGG Compound C00198 Link_out
PubChem Compound 7027 Link_out
PubChem Substance 46506698 Link_out
ChEBI 16217 Link_out
ChEMBL 16217 Link_out
HET LGC Link_out
Wikipedia http://en.wikipedia.org/wiki/Gluconolactone Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Lactase-phlorizin hydrolase

Pharmacological action: unknown

LPH splits lactose in the small intestine

Organism class: human
UniProt ID: P09848 Link_out
Gene: LCT Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:23