D-Galactonic acid

Details

• Internal ID: c385531f-86a4-4044-b8fe-ecc602e1faf7
• Taxonomy: Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives
• IUPAC Name: (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
• SMILES (Canonical): C(C(C(C(C(C(=O)O)O)O)O)O)O
• SMILES (Isomeric): C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
• InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
• InChI Key: RGHNJXZEOKUKBD-MGCNEYSASA-N
• Popularity: 424 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O₇
• Molecular Weight: 196.16 g/mol
• Exact Mass: 196.05830272 g/mol
• Topological Polar Surface Area (TPSA): 138.00 Ų
• XlogP: -3.40

Synonyms

• Galactonic acid
• 576-36-3
• 13382-27-9
• D-galactonate
• (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
• galactonate
• D-Galactonicacid
• J0M
• SCHEMBL193661
• CHEBI:16534
• RGHNJXZEOKUKBD-MGCNEYSASA-N
• DTXSID301045955
• DTXSID701316380
• Sodium D-galactonate, >=98.0% (TLC)
• C00880
• A854394
• Q27101959
• EF258448-BB27-433E-84F8-8891061B9358

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	98.06%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.98%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.85%	86.92%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.36%	99.17%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.42%	98.75%

Plants that contains it

• Arabidopsis thaliana
• Lotus corniculatus subsp. corniculatus
• Lotus tenuis

Cross-Links

• PubChem: 128869
• LOTUS: LTS0147604
• wikiData: Q27101959