(2R,3S,4S)-2-(hydroxymethyl)thiolane-3,4-diol

Details

Top
Internal ID d527ab8a-40ca-42d6-a14c-44aece0dbed8
Taxonomy Organoheterocyclic compounds > Thiolanes
IUPAC Name (2R,3S,4S)-2-(hydroxymethyl)thiolane-3,4-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C5H10O3S/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5+/m1/s1
InChI Key VLVSFIRYIVAVKW-WDCZJNDASA-N
Popularity 5 references in papers

Physical and Chemical Properties

Top
Molecular Formula C5H10O3S
Molecular Weight 150.20 g/mol
Exact Mass 150.03506535 g/mol
Topological Polar Surface Area (TPSA) 86.00 Ų
XlogP -0.70

Synonyms

Top
160882-26-8
CHEMBL408278
(2R,3S,4S)-2-(HYDROXYMETHYL)TETRAHYDROTHIOPHENE-3,4-DIOL
(2R,3S,4S)-2-(hydroxymethyl)thiolane-3,4-diol
SCHEMBL984959
1-deoxy-4-thio-d-arabinofuranose
BDBM50375509

2D Structure

Top
2D Structure of (2R,3S,4S)-2-(hydroxymethyl)thiolane-3,4-diol

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.14% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 89.90% 95.93%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.36% 97.09%
CHEMBL3589 P55263 Adenosine kinase 80.38% 98.05%

Plants that contains it

Top
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.
Salacia chinensis

Cross-Links

Top
PubChem 11423684
LOTUS LTS0082765
wikiData Q105288730