(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol

Details

• Internal ID: 4a630b48-722c-46c9-b0d3-0db09146e1d2
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
• IUPAC Name: (2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
• SMILES (Canonical): COCC1C(C(C(C(O1)O)OC)OC)OC
• SMILES (Isomeric): COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)OC
• InChI: InChI=1S/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
• InChI Key: AQWPITGEZPPXTJ-SOYHJAILSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₀O₆
• Molecular Weight: 236.26 g/mol
• Exact Mass: 236.12598835 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: -1.00

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	95.32%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	85.66%	95.93%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.65%	91.11%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.37%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.26%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.29%	85.14%
CHEMBL3922	P50579	Methionine aminopeptidase 2	80.85%	97.28%

Plants that contains it

• Strychnos nux-vomica

Cross-Links

• PubChem: 12903170
• LOTUS: LTS0078779
• wikiData: Q104917136