D-Arabinono-1,4-lactone

Details

• Internal ID: 4ef7cce2-ac95-4018-9e34-d6bc68bb37fd
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses
• IUPAC Name: (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one
• SMILES (Canonical): C(C1C(C(C(=O)O1)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O
• InChI: InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1
• InChI Key: CUOKHACJLGPRHD-JJYYJPOSSA-N
• Popularity: 43 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₈O₅
• Molecular Weight: 148.11 g/mol
• Exact Mass: 148.03717335 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: -1.40

Synonyms

• D-Arabino-1,4-lactone
• 2782-09-4
• D-Arabonolactone
• 1,4-D-Arabinonolactone
• D-Arabonic acid-1,4-lactone
• (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one
• D-Arabinonic acid, gamma-lactone
• 42417-44-7
• BRN 0082056
• ARABINONIC ACID, gamma-LACTONE, D-
• Arabinonic acid-1,4-lactone
• SCHEMBL419845
• CHEBI:16292
• CUOKHACJLGPRHD-JJYYJPOSSA-
• GEO-04321
• AKOS040768084
• D-Arabino-1,4-lactone, >=95.0% (GC)
• C00652
• D-Arabino-1,4-lactone, >=97.0% (HPLC)
• 4-18-00-02260 (Beilstein Handbook Reference)
• W-202734
• Q27101836
• E6B670A8-4605-455A-B696-7C0B3A83D3E3
• (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-one
• InChI=1/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1
• L-Arabinonic acid,2-amino-2,3,5-trideoxy-3-methyl-,g-lactone,hydrochloride(9ci)

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
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.06%	86.92%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.87%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.12%	91.11%

Plants that contains it

• Lomatia ferruginea
• Solanum lycopersicum

Cross-Links

• PubChem: 17723
• LOTUS: LTS0106425
• wikiData: Q105119793