[(2R,3S,4S)-2,4-diethoxyoxolan-3-yl]methanol

Details

• Internal ID: 0f6bcd6c-f314-490a-ac84-1251771ad112
• Taxonomy: Organoheterocyclic compounds > Tetrahydrofurans
• IUPAC Name: [(2R,3S,4S)-2,4-diethoxyoxolan-3-yl]methanol
• SMILES (Canonical): CCOC1COC(C1CO)OCC
• SMILES (Isomeric): CCO[C@@H]1CO[C@H]([C@H]1CO)OCC
• InChI: InChI=1S/C9H18O4/c1-3-11-8-6-13-9(12-4-2)7(8)5-10/h7-10H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
• InChI Key: OZCHIANHIUSSOX-DJLDLDEBSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₈O₄
• Molecular Weight: 190.24 g/mol
• Exact Mass: 190.12050905 g/mol
• Topological Polar Surface Area (TPSA): 47.90 Ų
• XlogP: 0.10

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
CHEMBL3137262	O60341	LSD1/CoREST complex	88.74%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.04%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.42%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.55%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	80.98%	95.93%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.68%	99.17%

Plants that contains it

• Brachystemma calycinum

Cross-Links

• PubChem: 162918830
• LOTUS: LTS0262829
• wikiData: Q105203677