2-(2,3-Dihydroxypropoxy)-5-(dimethylarsorylmethyl)oxolane-3,4-diol

Details

• Internal ID: 869e7e89-5ac3-4dcd-b790-840e6f87ecd4
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: 2-(2,3-dihydroxypropoxy)-5-(dimethylarsorylmethyl)oxolane-3,4-diol
• SMILES (Canonical): C[As](=O)(C)CC1C(C(C(O1)OCC(CO)O)O)O
• SMILES (Isomeric): C[As](=O)(C)CC1C(C(C(O1)OCC(CO)O)O)O
• InChI: InChI=1S/C10H21AsO7/c1-11(2,16)3-7-8(14)9(15)10(18-7)17-5-6(13)4-12/h6-10,12-15H,3-5H2,1-2H3
• InChI Key: GPGHDFGTUWSQOQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₁AsO₇
• Molecular Weight: 328.19 g/mol
• Exact Mass: 328.050323 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 0.00

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	96.87%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.06%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.45%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	85.35%	94.73%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.05%	95.89%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.45%	91.11%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.82%	86.92%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.40%	97.25%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.32%	96.00%

Plants that contains it

• Micromeles japonica

Cross-Links

• PubChem: 13964830
• LOTUS: LTS0121076
• wikiData: Q105014823