Glucurolactone

Details

• Internal ID: a04e42d0-1503-4511-a726-6b2546e20c7b
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde
• SMILES (Canonical): C(=O)C(C1C(C(C(=O)O1)O)O)O
• SMILES (Isomeric): C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O
• InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1
• InChI Key: UYUXSRADSPPKRZ-SKNVOMKLSA-N
• Popularity: 129 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₈O₆
• Molecular Weight: 176.12 g/mol
• Exact Mass: 176.03208797 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: -1.80

Synonyms

• 32449-92-6
• GLUCUROLACTONE
• D-Glucurono-6,3-lactone
• Glucurone
• D-Glucuronic acid lactone
• Glucurono-6,3-lactone
• Glucuronosan
• Guronsan
• Glucurolactone [INN]
• D-Glucofuranuronic acid, gamma-lactone
• Glucuronolactone [JAN]
• NSC 656
• Glucuron
• Gluronsan
• Glucuronic acid lactone
• D-Glucuronic acid, g-lactone
• XE4Y3016M9
• Reulatt S.S.
• (R)-2-((2S,3R,4S)-3,4-dihydroxy-5-oxotetrahydrofuran-2-yl)-2-hydroxyacetaldehyde
• Glucurolactone (INN)
• Glucuronolactone (JAN)
• (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde
• d(+)-glucurono-3,6-lactone
• Glucurolactonum
• Glucurolactona
• Glucuronolattone
• Glucuronolattone [DCIT]
• gamma-Glukurolakton
• gamma-Glukurolakton [Czech]
• Glucurolactonum [INN-Latin]
• 6814-06-8
• Glucurolactona [INN-Spanish]
• Glucuronic acid-3,6-lactone
• EINECS 251-053-3
• BRN 0083595
• NSC-656
• UNII-XE4Y3016M9
• D-Glucuronic acid, gamma-lactone
• D-Glucuronicacid,g-lactone
• SCHEMBL28793
• 5-18-05-00033 (Beilstein Handbook Reference)
• GLUCUROLACTONE [MART.]
• GLUCURONOLACTONE [INCI]
• D-GLUCURONOLACTONE [MI]
• GLUCUROLACTONE [WHO-DD]
• CHEBI:18268
• D-glucofuranuronate gamma-lactone
• AMY8977
• UYUXSRADSPPKRZ-SKNVOMKLSA-N
• BCP09805
• AKOS006341990
• KS-1361
• gamma-Lactone of D-glucofuranuronic acid
• HY-41982
• CS-0019952
• C02670
• D-(+)-Glucuronic acid gamma-lactone, >=99%
• D01800
• D70547
• .GAMMA-LACTONE OF D-GLUCOFURANURONIC ACID
• Q28529701
• D-(+)-Glucuronic acid gamma-lactone, analytical standard
• 00CE759F-D1F9-492E-89F7-B7400A34C72D

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.78%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.13%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.25%	89.00%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 92283
• LOTUS: LTS0076652
• wikiData: Q28529701