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Epoxydon

PubChem CID: 72629

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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