(3R,4S)-3,4-dihydroxyoxolan-2-one

Details

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Internal ID 4f0d9049-d1b4-4df7-8744-68a03d4f7687
Taxonomy Organoheterocyclic compounds > Lactones > Gamma butyrolactones
IUPAC Name (3R,4S)-3,4-dihydroxyoxolan-2-one
SMILES (Canonical) C1C(C(C(=O)O1)O)O
SMILES (Isomeric) C1[C@@H]([C@H](C(=O)O1)O)O
InChI InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1
InChI Key SGMJBNSHAZVGMC-STHAYSLISA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C4H6O4
Molecular Weight 118.09 g/mol
Exact Mass 118.02660867 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP -1.30

Synonyms

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21730-93-8
(3R,4S)-3,4-dihydroxyoxolan-2-one
L-Threonic acid-1,4-lactone
Threonolactone
Threonic acid-1,4-lactone
(3R,4S)-3,4-dihydroxydihydrofuran-2(3H)-one
Bis-TMS-Threono-1,4-lactone
l-threono-1 ,4-lactone
di-TMS-Threono-1,4-lactone
SCHEMBL2696967
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (3R,4S)-3,4-dihydroxyoxolan-2-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.76% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.13% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.02% 89.00%
CHEMBL2581 P07339 Cathepsin D 80.29% 98.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana
Lemna aequinoctialis

Cross-Links

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PubChem 2724794
LOTUS LTS0165747
wikiData Q105298133