(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol

Details

• Internal ID: 6bb781ee-f996-4e0c-9433-39badd9eb4c5
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses
• IUPAC Name: (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
• SMILES (Canonical): C1C(C(OC1O)CO)O
• SMILES (Isomeric): C1[C@@H]([C@H](OC1O)CO)O
• InChI: InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1
• InChI Key: PDWIQYODPROSQH-PYHARJCCSA-N
• Popularity: 33 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₀O₄
• Molecular Weight: 134.13 g/mol
• Exact Mass: 134.05790880 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: -1.00

Synonyms

• (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
• 1831121-84-6
• 2-desoxyribose
• (4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,4-diol
• SCHEMBL36812
• 2-Deoxy-D-erythro-pentofuranose
• CHEBI:90761
• PDWIQYODPROSQH-PYHARJCCSA-N
• Ribofuranose, 2-deoxy- [-H2O]
• AKOS006271845
• AC-6194
• AT39710
• (4S,5R)-5-methyloltetrahydrofuran-2,4-diol
• C01801
• EN300-104560
• Q27162723
• 28EE252E-18BB-427B-87DE-25EEA2FA6E02

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	92.53%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.24%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.02%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.43%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	85.72%	83.82%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.01%	86.92%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.47%	96.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9828112
• LOTUS: LTS0079727
• wikiData: Q27162723