(2R,3R)-2,3,4-trihydroxybutanoic acid

Details

• Internal ID: 726bb17b-d10d-4a7b-9c2f-eae5004d6515
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives
• IUPAC Name: (2R,3R)-2,3,4-trihydroxybutanoic acid
• SMILES (Canonical): C(C(C(C(=O)O)O)O)O
• SMILES (Isomeric): C([C@H]([C@H](C(=O)O)O)O)O
• InChI: InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1
• InChI Key: JPIJQSOTBSSVTP-PWNYCUMCSA-N
• Popularity: 165 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₈O₅
• Molecular Weight: 136.10 g/mol
• Exact Mass: 136.03717335 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: -2.10

Synonyms

• (2R,3R)-2,3,4-trihydroxybutanoic acid
• D-erythronic acid
• 488-16-4
• 13752-84-6
• Erythronate
• erythro-2,3,4-Trihydroxybutyric acid
• EAX
• (R*,R*)-2,3,4-Trihydroxybutanoic acid
• 2,3,4-trihydroxybutanoate
• Butanoic acid, 2,3,4-trihydroxy-, (R*,R*)-
• SCHEMBL6437643
• CHEBI:37655
• erythro-2,3,4-Trihydroxybutyrate
• JPIJQSOTBSSVTP-PWNYCUMCSA-N
• (R*,R*)-2,3,4-trihydroxy-Butanoate
• (2R,3R)-2,3,4-trihydroxybutanoicacid
• (R*,R*)-2,3,4-trihydroxy-Butanoic acid
• HY-113048
• CS-0059433
• C21593
• EN300-100615
• Q27117218
• 79C790F8-6EFC-47F0-B7ED-DFA0645BF900

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	97.59%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.43%	96.09%
CHEMBL2581	P07339	Cathepsin D	82.81%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.78%	99.17%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.32%	86.92%

Plants that contains it

• Pycnandra acuminata

Cross-Links

• PubChem: 2781043
• LOTUS: LTS0219834
• wikiData: Q27117218