alpha,beta-Trehalose

Details

• Internal ID: 79436642-a10b-437f-898f-74ec9d049c5a
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
• InChI: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1
• InChI Key: HDTRYLNUVZCQOY-BTLHAWITSA-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

• 585-91-1
• beta-D-glucopyranosyl alpha-D-glucopyranoside
• CHEBI:39244
• DTXSID001317551
• (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
• (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-3,4,5-triol
• RefChem:111022
• GlyTouCan:G21133VQ
• DTXCID601747360
• G21133VQ
• Neotrehalose
• a,b-Trehalose
• alpha-D-Glucopyranosyl beta-D-glucopyranoside
• alpha-D-Glcp-(1<->1)-beta-D-Glcp
• ALPHABETA-TREHALOSE
• I+/-,I(2)-Trehalose
• SCHEMBL156807
• alpha,beta-Trehalose, >=98%
• orb1992049
• MFCD00792716
• a-D-Glucopyranosyl b-D-glucopyranoside
• AKOS040734697
• HY-W145656
• OT00157
• ?-D-Glucopyranosyl ?-D-glucopyranoside
• AS-87491
• alpha-D-glucopyranosyl-beta-D-glucopyranoside
• CS-0226085
• F81530
• b-D-Glucopyranosyl a-D-glucopyranoside, 9CI, 8CI
• F863672
• T124605
• Q27119787
• alpha-D-glucopyranosyl-(1&harr;1)-beta-D-glucopyranoside
• (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
• (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

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	90.73%	91.11%
CHEMBL3589	P55263	Adenosine kinase	87.48%	98.05%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.32%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.23%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	84.03%	95.93%
CHEMBL218	P21554	Cannabinoid CB1 receptor	82.00%	96.61%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10871590
• LOTUS: LTS0081112
• wikiData: Q27119787