Methyl D-glucopyranoside

Details

• Internal ID: d45a078c-13ee-4bac-a0d5-3837e118a3bd
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• SMILES (Canonical): COC1C(C(C(C(O1)CO)O)O)O
• SMILES (Isomeric): COC1[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-WLDMJGECSA-N
• Popularity: 582 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 D-glucopyranoside
• Methyl D-glucoside
• 1-O-Methyl-D-glucopyranose
• methyl-d-glucopyranoside
• D-Glucopyranoside, methyl
• (2R,3S,4S,5R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
• Glucopyranoside, methyl, D-
• Methyl glucoside
• (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• 54L5T38NI8
• Glucosidizer 100
• methyl glucopyranoside
• Sta-Meg 104
• Sta-Meg 106
• Sta-Meg 200
• Methylglykosid
• GEO-MEG 365
• UNII-54L5T38NI8
• EINECS 221-581-9
• (2R,3S,4S,5R)-tetrahydro-2-(hydroxymethyl)-6-methoxy-2H-pyran-3,4,5-triol
• SCHEMBL78632
• DTXSID4027523
• CHEBI:37657
• HOVAGTYPODGVJG-WLDMJGECSA-N
• AKOS006237848
• J-500989
• Q6824001

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

• Hordeum vulgare

Cross-Links

• PubChem: 3036743
• LOTUS: LTS0216757
• wikiData: Q6824001