Methyl alpha-D-mannopyranoside

Details

• Internal ID: 4c5b6313-7dac-4747-8ef6-f87931306556
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3S,4S,5S,6S)-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-VEIUFWFVSA-N
• Popularity: 656 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

• 617-04-9
• Methyl a-D-mannopyranoside
• Methyl alpha-D-mannoside
• Methyl-alpha-D-mannopyranoside
• alpha-Methyl-D-mannoside
• alpha-Methyl mannopyranoside
• 1-O-Methyl-alpha-D-mannopyranoside
• methyl |A-d-mannopyranoside
• alpha-Methyl-D-mannopyranoside
• alpha-D-Methyl mannoside
• Methyl-alpha-D-mannoside
• alpha-Methyl-D-(-)-mannoside
• CHEBI:43943
• .alpha.-D-Mannopyranoside, methyl
• NSC 1225
• (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• Methyl mannoside
• CHEMBL195368
• Methyl alpha-D-mannoside (VAN)
• O1-Methyl-Mannose
• EINECS 210-502-3
• (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
• Mannopyranoside, methyl, .alpha.-D-
• NSC 224429
• MFCD00063262
• Methylmannoside
• C7H14O6
• 25281-48-5
• Methyl .alpha.-D-mannoside
• Methyl .alpha.-D-mannopyranoside
• 2jdn
• 2jdy
• a-methyl-D-mannoside
• a-Methyl D-mannoside
• 1ws5
• 2bv4
• methyl -d-mannopyranoside
• Epitope ID:145662
• .alpha.-D-Methyl mannoside
• .alpha.-Methyl-D-mannoside
• Methyl-alphaD-mannopyranoside
• SCHEMBL136446
• alpha-D-Mannopyranoside, methyl
• -;Methyl alpha-D-mannopyranoside
• .alpha.-Methyl-D-mannopyranoside
• DTXSID10897266
• Methyl-.alpha.-D-mannopyranoside
• alpha-D-Mannoside, methyl (9CI)
• Mannopyranoside, methyl, alpha-D-
• AMY31295
• BDBM50166886
• CCG-53954
• s5047
• 1-O-Methyl-.alpha.-D-mannopyranoside
• DB01979
• HY-W039897
• AS-58701
• CS-0098154
• M0368
• Methyl alpha-D-mannopyranoside, >=99% (GC)
• F16319
• A868645
• SR-01000643077-1
• Q27093072
• Methyl alpha-D-mannopyranoside, for microbiology, >=99.0%
• 35B8275C-EB56-4981-81A0-8E358215B1A9
• O1-METHYL-MANNOSE; methyl alpha-D-mannoside; methyl D-mannoside; methyl mannoside

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

• Lilium lancifolium
• Lilium pumilum

Cross-Links

• PubChem: 101798
• NPASS: NPC282143
• ChEMBL: CHEMBL195368
• LOTUS: LTS0215367
• wikiData: Q27093072