Levoglucose

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Levoglucose
Accession Number
DB12970
Type
Small Molecule
Groups
Investigational
Description

Levoglucose has been used in trials studying the diagnostic of Bowel Cleansing Prior to Colonoscopy.

Structure
Thumb
Synonyms
  • L-glucose
  • L(-)-Glucose
External IDs
FM-602
Categories
UNII
02833ISA66
CAS number
921-60-8
Weight
Average: 180.156
Monoisotopic: 180.063388106
Chemical Formula
C6H12O6
InChI Key
GZCGUPFRVQAUEE-VANKVMQKSA-N
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1
IUPAC Name
(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
SMILES
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O

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
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10954115
PubChem Substance
347829110
ChemSpider
9129332
ChEBI
37626

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedDiagnosticBowel Cleansing Prior to Colonoscopy1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility261.0 mg/mLALOGPS
logP-2.4ALOGPS
logP-3.6ChemAxon
logS0.16ALOGPS
pKa (Strongest Acidic)12.26ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.35 m3·mol-1ChemAxon
Polarizability16.14 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-066s-0931000000-a654a96dad0048091931
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0ktb-0921000000-704c811ee0524988bb44
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Hexoses
Alternative Parents
Medium-chain aldehydes / Beta-hydroxy aldehydes / Alpha-hydroxyaldehydes / Secondary alcohols / Polyols / Primary alcohols / Organic oxides / Hydrocarbon derivatives
Substituents
Hexose monosaccharide / Medium-chain aldehyde / Beta-hydroxy aldehyde / Alpha-hydroxyaldehyde / Secondary alcohol / Polyol / Organic oxide / Hydrocarbon derivative / Primary alcohol / Carbonyl group
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
L-glucose, aldehydo-glucose (CHEBI:37626)

Drug created on October 20, 2016 19:40 / Updated on November 02, 2018 07:32