2-Deoxy-D-erythro-pentitol

Details

• Internal ID: b81b4b5c-cf27-4769-a8ea-043759556f54
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
• IUPAC Name: (2R,3S)-pentane-1,2,3,5-tetrol
• SMILES (Canonical): C(CO)C(C(CO)O)O
• SMILES (Isomeric): C(CO)[C@@H]([C@@H](CO)O)O
• InChI: InChI=1S/C5H12O4/c6-2-1-4(8)5(9)3-7/h4-9H,1-3H2/t4-,5+/m0/s1
• InChI Key: ZDAWZDFBPUUDAY-CRCLSJGQSA-N
• Popularity: 10 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₂O₄
• Molecular Weight: 136.15 g/mol
• Exact Mass: 136.07355886 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: -2.00

Synonyms

• 2-deoxy-D-erythropentitol
• SCHEMBL283543
• CHEBI:192851
• ZDAWZDFBPUUDAY-CRCLSJGQSA-N
• (2R,3S)-pentane-1,2,3,5-tetrol
• (2R,3S)-pentane-1,2,3,5-tetraol

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	89.89%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	87.86%	83.82%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.20%	86.92%

Plants that contains it

• Foeniculum vulgare
• Glehnia littoralis

Cross-Links

• PubChem: 10796791
• LOTUS: LTS0190325
• wikiData: Q105371961