(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol

Details

• Internal ID: 551bdb0e-fc7d-4a73-99aa-cf99b0988ea0
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]oxane-3,4,5-triol
• InChI: InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
• InChI Key: SCLGLFRXJNHKQZ-FYKVHUBJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₈
• Molecular Weight: 292.28 g/mol
• Exact Mass: 292.11581759 g/mol
• Topological Polar Surface Area (TPSA): 129.00 Ų
• XlogP: -2.10

Synonyms

There are no found synonyms.

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	91.42%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.34%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.14%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	81.92%	94.73%
CHEMBL226	P30542	Adenosine A1 receptor	80.05%	95.93%

Plants that contains it

• Dianthus longicalyx

Cross-Links

• PubChem: 162911293
• LOTUS: LTS0237247
• wikiData: Q105250252