(3R,4R)-3,4-dihydroxyoxolan-2-one
PubChem CID: 5325915
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| Compound Synonyms | D-Erythronolactone, 15667-21-7, (3R,4R)-3,4-Dihydroxydihydrofuran-2(3H)-one, d-erythrono-1,4-lactone, (3R,4R)-3,4-dihydroxyoxolan-2-one, erythrono-1,4-lactone, 2(3H)-Furanone, dihydro-3,4-dihydroxy-, (3R,4R)-, 17675-99-9, MFCD00077763, erythronolactone, (3R,4R)-Dihydroxydihydro-2(3H)-furanone, Erythronic acid g-lactone, D-Erythronolactone, 98%, D-Erythronic gamma-Lactone, erythronic acid gamma-lactone, Erythronic acid-1,4-lactone, SCHEMBL818248, CHEMBL113716, D-Erythronic acid gamma-lactone, CHEBI:87625, DTXSID90935493, delta-Erythronic acid gamma-lactone, 3,4-Dihydroxyoxolan-2-onato(3-), 3,4-Dihydroxydihydro-2(3H)-furanone, AKOS024262526, D-Erythronic acid gamma-lactone, 95%, DS-9368, ME00265, s11960, dihydro-3,4-dihydroxy-cis-2(3H)-Furanone, CS-0157912, E0455, (3R,4R)-3,4-dihydroxytetrahydrofuran-2-one, D-Erythrono-1,4-lactone, >=95.0% (GC), EN300-371174, Rel-(3R,4R)-3,4-dihydroxydihydrofuran-2(3H)-one, (3R,4R)-rel-dihydro-3,4-dihydroxy-2(3H)-Furanone, Q27159785, (3R,4R)-dihydro-3,4-dihydroxy-Threono-1,4-lactone 2(3H)-Furanone, C3A81166-85F4-4D25-8FB9-714897037227, (2R,3R)-Butane-2,3,4-triol-1,4-lactone, D-Erythronic acid ?-lactone, D-Erythronolactone, InChI=1/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | O[C@@H][C@H]O)COC5=O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Lactones |
| Description | Erythrono-1,4-lactone has been identified as a lactone of tetronic acid in the urine from normal adults and neonates. The formation of this compound may be a consequence of lactonization of erythronic acid during the extraction/isolation process. Lactonization is a potential problem when measuring acids that contain a hydroxyl group at the number 4 carbon, as lactones are formed under acidic conditions. Evidence indicates that most 4-hydroxy acids do not normally exist to any appreciable extent as lactones in urine. (PMID 1192581). [HMDB] |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Gamma butyrolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4R)-3,4-dihydroxyoxolan-2-one |
| Class | Lactones |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -1.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Gamma butyrolactones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H6O4 |
| Scaffold Graph Node Bond Level | O=C1CCCO1 |
| Inchi Key | SGMJBNSHAZVGMC-PWNYCUMCSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | (3R,4R)-dihydro-3,4-dihydroxy-Threono-1,4-lactone 2(3H)-Furanone, (3R,4R)-rel-dihydro-3,4-dihydroxy-2(3H)-Furanone, 3,4-Dihydroxydihydro-2(3H)-furanone, D-Erythronic acid gamma-lactone, delta-Erythronic acid gamma-lactone, dihydro-3,4-dihydroxy-cis-2(3H)-Furanone, Erythronic acid g-lactone, Erythrono-1,4-lactone, D-Erythronolactone, Erythronic acid gamma-lactone, Erythronate g-lactone, Erythronate gamma-lactone, Erythronate γ-lactone, Erythronic acid γ-lactone, (3R,4R)-Dihydro-3,4-dihydroxy-threono-1,4-lactone 2(3H)-furanone, (3R,4R)-Rel-dihydro-3,4-dihydroxy-2(3H)-furanone, Dihydro-3,4-dihydroxy-cis-2(3H)-furanone, 2-c-hydroxy-methyl-d-erythrono-1,4-lactone |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | (3R,4R)-3,4-dihydroxyoxolan-2-one |
| Kingdom | Organic compounds |
| Exact Mass | 118.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 118.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1 |
| Smiles | C1[C@H]([C@H](C(=O)O1)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Gamma butyrolactones |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279