2-O-Methyl-alpha-D-xylopyranose

Details

• Internal ID: abcc58a4-96fc-4307-a28c-8a15fb1e62a1
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses
• IUPAC Name: (2S,3R,4S,5R)-3-methoxyoxane-2,4,5-triol
• SMILES (Canonical): COC1C(C(COC1O)O)O
• SMILES (Isomeric): CO[C@@H]1[C@H]([C@@H](CO[C@@H]1O)O)O
• InChI: InChI=1S/C6H12O5/c1-10-5-4(8)3(7)2-11-6(5)9/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
• InChI Key: UAXFCDNRLADBDZ-MOJAZDJTSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O₅
• Molecular Weight: 164.16 g/mol
• Exact Mass: 164.06847348 g/mol
• Topological Polar Surface Area (TPSA): 79.20 Ų
• XlogP: -2.00

Synonyms

• UNII-LPJ4JGY352
• 2-O-Methyl-alpha-D-xylopyranose
• alpha-D-Xylopyranose, 2-O-methyl-
• 80299-47-4
• SCHEMBL727867
• 2-O-METHYL-.ALPHA.-D-XYLOPYRANOSE
• .ALPHA.-D-XYLOPYRANOSE, 2-O-METHYL-

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
CHEMBL4040	P28482	MAP kinase ERK2	93.91%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.83%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.31%	91.11%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	82.84%	96.77%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.48%	97.09%

Plants that contains it

• Brassica napus

Cross-Links

• PubChem: 13932293
• LOTUS: LTS0238708
• wikiData: Q105269120