Epoxydon
PubChem CID: 72629
Connections displayed (default: 10).
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| Compound Synonyms | Epoxydon, 24292-29-3, (+)-Epoxydon, EL7AGQ2T5M, NSC93049, NSC-93049, (1R,5R,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one, Phyllosinol, Epoxydone, (1R,2R,6R)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one, 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, (1R,2R,6R)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo(4.1.0)hept-3-en-5-one, (1R,5R,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo(4.1.0)hept-3-en-2-one, (+)-Epoxidone, NSC 93049, SPHAEROPSODIN, Antibiotic 212T2, Upjohn 212 t2, UNII-EL7AGQ2T5M, UPJOHN 212T2, CHEMBL477749, SCHEMBL13612135, 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, (1R,5R,6R)-, NCI60_042071, U 15966, 7-Oxabicyclo[4.1.0]hept-3-en-2-one, (1R,5R,6R)-, (1R,6R)-5beta-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one, 7-Oxabicyclo[4.1.0]hept-3-en-2-one, [1R-(1.alpha.,5.beta.,6.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 70.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,5R,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C7H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VTLJDPHPVHSVGR-QXRNQMCJSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -0.95 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.521 |
| Compound Name | Epoxydon |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 156.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.06794939999999977 |
| Inchi | InChI=1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6-,7+/m1/s1 |
| Smiles | C1=C(C(=O)[C@H]2[C@@H]([C@@H]1O)O2)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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