Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110604
Identification
Name: methyl β-D-glucoside
Description:Not Available
Structure
Thumb
Synonyms:
  • methyl-β-D-glucose
  • methyl-β-D-glucopyranoside
  • 1-O-methyl-β-D-glucopyranose
  • methyl-β-D-glucopyranoside hemihydrate
  • β-methyl-D-glucoside
  • b-methyl-D-glucoside
Chemical Formula: C7H14O6
Average Molecular Weight: 194.079038182
Monoisotopic Molecular Weight: 194.079038182
InChI Key: HOVAGTYPODGVJG-XUUWZHRGSA-N
InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:COC1(OC(CO)C(O)C(O)C(O)1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent O-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Oxane
  • Monosaccharide
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a \u0026beta;-D-galactoside (METHYL-BETA-D-GALACTOSIDE)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass194.1823ChemAxon
logP-2.5673ChemAxon
H-bond acceptors6ChemAxon
H-bond donors4ChemAxon
Rotatable bonds2ChemAxon
PSA99.3800ChemAxon
RO5 violations0ChemAxon
RO3 violations3ChemAxon
Refractivity40.4662ChemAxon
Atoms27ChemAxon
Rings1ChemAxon
Heavy atoms13ChemAxon
Hydrogen atoms14ChemAxon
Heteroatoms6ChemAxon
N/O atoms6ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers5ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers5ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycCPD-3570