beta-L-idopyranose

Details

• Internal ID: e6979cd3-9a13-4a40-9d90-8b9ef52cf3fc
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
• IUPAC Name: (2S,3R,4S,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• SMILES (Canonical): C(C1C(C(C(C(O1)O)O)O)O)O
• SMILES (Isomeric): C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m0/s1
• InChI Key: WQZGKKKJIJFFOK-ZSNZIGRDSA-N
• Popularity: 2 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: -2.60

Synonyms

• beta-L-idose
• 9KZ5XX4937
• UNII-9KZ5XX4937
• CHEBI:72452
• 12773-33-0
• .BETA.-L-IDOPYRANOSE
• beta-L-idose; L-idose; idose
• SCHEMBL4431688
• CHEMBL3186423
• NCGC00160621-02
• Q27139932

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
CHEMBL226	P30542	Adenosine A1 receptor	91.94%	95.93%
CHEMBL3589	P55263	Adenosine kinase	88.61%	98.05%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.29%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.25%	91.11%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.54%	86.92%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 6323336
• LOTUS: LTS0203529
• wikiData: Q27139932