beta-D-Psicofuranose

Details

• Internal ID: 97c204fe-4305-4c72-958a-54fad98f0556
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
• SMILES (Canonical): C(C1C(C(C(O1)(CO)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1
• InChI Key: RFSUNEUAIZKAJO-KVTDHHQDSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O₆
• Molecular Weight: 180.16 g/mol
• Exact Mass: 180.06338810 g/mol
• Topological Polar Surface Area (TPSA): 110.00 Ų
• XlogP: -2.30

Synonyms

• beta-D-Furanallulose
• 470-24-6
• 4F7VIM0WN8
• (2R,3R,4S,5R)-2,5-BIS(HYDROXYMETHYL)OXOLANE-2,3,4-TRIOL
• Psicofuranose, beta-D-
• UNII-4F7VIM0WN8
• .BETA.-D-FURANALLULOSE
• .BETA.-D-PSICOFURANOSE
• SCHEMBL8523079
• PSICOFURANOSE, .BETA.-D-
• W-203080
• (2R,3R,4S,5R)-2,5-Bis(hydroxymethyl)tetrahydrofuran-2,3,4-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	93.97%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	88.73%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.97%	96.09%
CHEMBL218	P21554	Cannabinoid CB1 receptor	80.48%	96.61%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 12306006
• LOTUS: LTS0065536
• wikiData: Q105235599