D-Gluconolactone

Details

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Internal ID 2cec3d0f-babf-47b3-8b03-df3771501e31
Taxonomy Organoheterocyclic compounds > Lactones > Gamma butyrolactones
IUPAC Name (3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1
InChI Key SXZYCXMUPBBULW-TXICZTDVSA-N
Popularity 28 references in papers

Physical and Chemical Properties

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Molecular Formula C6H10O6
Molecular Weight 178.14 g/mol
Exact Mass 178.04773803 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP -2.00

Synonyms

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1198-69-2
d-Glucono-gamma-lactone
Glucono-gamma-lactone
(3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one
D-Gluconic acid, gamma-lactone
d-Gluconic acid gamma-lactone
D-Gluconic acid, .gamma.-lactone
F62S8J9R28
(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
D-gluconate-gamma-lactone
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of D-Gluconolactone

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
CHEMBL1947 P10828 Thyroid hormone receptor beta-1 2.8 nM
Potency
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 88.14% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.74% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.32% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.30% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.10% 94.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 439994
LOTUS LTS0070374
wikiData Q27098411