2-O-beta-D-Glucopyranosyl-D-glucopyranose

Details

• Internal ID: d48bc50c-c484-49b2-a877-a5ab0315c2e0
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
• SMILES (Canonical): C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O)O)O)O
• InChI: InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1
• InChI Key: HIWPGCMGAMJNRG-RTPHMHGBSA-N
• Popularity: 9 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₂O₁₁
• Molecular Weight: 342.30 g/mol
• Exact Mass: 342.11621151 g/mol
• Topological Polar Surface Area (TPSA): 190.00 Ų
• XlogP: -4.20

Synonyms

• 2-O-beta-D-Glucopyranosyl-D-glucopyranose
• beta-D-glucopyranosyl-(1->2)-D-glucopyranose
• D-Glucopyranose, 2-O-.beta.-D-glucopyranosyl-
• (3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
• 2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose
• SCHEMBL9114345
• beta-D-Glc-(1->2)-D-Glc
• DTXSID80885135
• AKOS037645009
• AS-56128

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.43%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	88.31%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.04%	96.09%
CHEMBL3589	P55263	Adenosine kinase	86.97%	98.05%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.83%	86.92%

Plants that contains it

• Arabidopsis thaliana
• Medicago sativa

Cross-Links

• PubChem: 12304904
• LOTUS: LTS0246394
• wikiData: Q82863755