Methyl beta-D-galactopyranoside

Details

• Internal ID: e749bfed-0423-4d1c-94f9-03f0787547d6
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• SMILES (Canonical): COC1C(C(C(C(O1)CO)O)O)O
• SMILES (Isomeric): CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
• 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
• InChI Key: HOVAGTYPODGVJG-VOQCIKJUSA-N
• Popularity: 66 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₄O₆
• Molecular Weight: 194.18 g/mol
• Exact Mass: 194.07903816 g/mol
• Topological Polar Surface Area (TPSA): 99.40 Ų
• XlogP: -2.20

Synonyms

• Methyl beta-D-galactopyranoside
• Methyl beta-D-galactoside
• Methyl galactoside
• Methylgalactoside
• Methyl beta-galactoside
• Methyl-beta-D-galactopyranoside
• (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
• GalbetaOMe
• beta-D-Galactopyranose methyl glycoside
• methyl |A-d-galactopyranoside
• CHEBI:17540
• 64RYD088RJ
• CHEMBL442951
• beta-D-Galactopyranoside, methyl
• METHYL-BETA-D-GALACTOSIDE
• (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• Beta-Methyl-D-Galactoside
• METHYL-BETA-GALACTOSE
• 1-o-methyl-beta-d-galactopyranoside
• MFCD00064357
• Methyl ?-D-Galactopyranoside
• UNII-64RYD088RJ
• Methyl .beta.-D-galactopyranoside
• Methyl beta-galactoside (VAN)
• NSC-33685
• 2vmd
• EINECS 217-361-7
• NSC 33685
• b-methyl-D-galactoside
• Methyl ss-D-galactoside
• Epitope ID:150067
• methyl beta-galactopyranoside
• b-D-Galactopyranoside,methyl
• Methyl-b-D-galactopyranoside
• Methyl beta-D-galactopyranoside, methyl, beta-D-
• 4-Ethynylphenyl Boronic Acid
• Methyl-ss-D-galactopyranoside
• .BETA.-METHYLGALACTOSE
• SCHEMBL767166
• Methyl-ss--D-galactopyranoside
• HOVAGTYPODGVJG-VOQCIKJUSA-N
• Methyl- beta -D-galactopyranoside
• DTXSID901017001
• METHYL -D-GALACTOPYRANOSIDE
• Galactopyranoside, methyl, beta-D-
• METHYL .BETA.-D-GALACTOSIDE
• BDBM50243888
• s3343
• AKOS015902573
• DB04046
• FS-4332
• HY-128737
• CS-0102524
• M1035
• A12172
• C03619
• A880887
• Q27094900
• ACD4127C-D741-4B7A-B3CC-2C3D0728C8E4
• (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol
• (2R,3R,4S,5R,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol
• METHYL-BETA-GALACTOSE; methyl beta-D-galactoside; methyl D-galactoside; methyl galactoside

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.96%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.16%	91.11%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.20%	86.92%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.54%	99.17%

Plants that contains it

• Pogostemon cablin

Cross-Links

• PubChem: 94214
• LOTUS: LTS0198974
• wikiData: Q27094900