(2R,3R,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol

Details

• Internal ID: b428315c-448a-47b4-b5f6-0dd53f9d8762
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides
• IUPAC Name: (2R,3R,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
• SMILES (Canonical): C(C(C1C(C(C(C(O1)O)O)O)O)O)O
• SMILES (Isomeric): C([C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O)O
• InChI: InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5-,6-,7-/m1/s1
• InChI Key: BGWQRWREUZVRGI-AMRQHQFISA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₄O₇
• Molecular Weight: 210.18 g/mol
• Exact Mass: 210.07395278 g/mol
• Topological Polar Surface Area (TPSA): 131.00 Ų
• XlogP: -3.20

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	91.05%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.21%	91.11%
CHEMBL3589	P55263	Adenosine kinase	84.72%	98.05%
CHEMBL2581	P07339	Cathepsin D	83.07%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	82.69%	95.93%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.13%	96.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.27%	97.25%
CHEMBL4040	P28482	MAP kinase ERK2	80.95%	83.82%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.29%	95.89%

Plants that contains it

• Primula veris

Cross-Links

• PubChem: 96361162
• LOTUS: LTS0130995
• wikiData: Q104935766