NAV

3-O-Methyl-d-glucose

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

Identification

Generic Name
3-O-Methyl-d-glucose
DrugBank Accession Number
DB16765
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 194.183
Monoisotopic: 194.079038171
Chemical Formula
C7H14O6
Synonyms
  • 3-Methyl-D-glucose
  • 3-Methylglucose
  • 3-O-Methylglucose
  • Methylglucose
  • O(3)-methyl-D-glucose
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
48DU64I6O5
CAS number
146-72-5
InChI Key
RMTFNDVZYPHUEF-XZBKPIIZSA-N
InChI
InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3/t4-,5+,6-,7-/m1/s1
IUPAC Name
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-methoxyhexanal
SMILES
[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(OC)[C@@]([H])(O)C=O

References

General References
Not Available
ChemSpider
8626
ChEBI
73918
ZINC
ZINC000004523235

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility238.0 mg/mLALOGPS
logP-2.1ALOGPS
logP-2.9Chemaxon
logS0.09ALOGPS
pKa (Strongest Acidic)12.35Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area107.22 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity42.1 m3·mol-1Chemaxon
Polarizability18.09 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-7900000000-b239796e2ad467c6a601
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0600-7900000000-d92d23a86760ffca676c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0076-9000000000-8badf116fc3855e04826
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-9100000000-3345bf7204bc28406c5d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00n1-9100000000-6de2df7c14ac66e29c50
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-9000000000-902fa3f4df1ad67d8811
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-140.42279
predicted
DeepCCS 1.0 (2019)
[M+H]+142.81836
predicted
DeepCCS 1.0 (2019)
[M+Na]+149.20906
predicted
DeepCCS 1.0 (2019)

Drug created at March 16, 2022 19:13 / Updated at March 17, 2022 22:25