(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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![(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/02f8d9a43cfd4e21a5a42a3ee401b4c8.png "(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one")
(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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CAS No:
67772-76-3
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Formula:
C7H8O4
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Chemical Name:
(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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Synonyms:
5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2- en-1-one;isoepoxydon;Isoepoxydon;Epiepoxydon;NSC326233;67772-76-3;(+)-epiepoxydon;(+)-isoepoxydon;(+)-Epiepoxydone;EPOXYDON, EPI-;CHEMBL443078;SCHEMBL13612145;VTLJDPHPVHSVGR-JHYUDYDFSA-;CHEBI:145109;ISOMER OF EPOXYDON 93049;NSC-326233;(1R,2S,6R)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one;NCI60_002828;(4R,5S,6S)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one;(4S,5R,6R)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one;(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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CAS No:
Description
(+)-isoepoxydon is a cyclic ketone that is (-)-phyllostine in which the carbonyl group which is furthest from the hydroxymethyl substituent has been formally reduced to give the corresponding secondary alcohol with S configuration. A metabolite of the patulin pathway in Penicillium urticae. It has a role as a Penicillium metabolite. It is an epoxide, a primary allylic alcohol, a secondary allylic alcohol, an enone and a cyclic ketone.
(1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one Basic Attributes
156.14 g/mol
156.04225873 g/mol
326233
Computed Properties
Molecular Weight:156.14
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:156.04225873
Monoisotopic Mass:156.04225873
Topological Polar Surface Area:70.1
Heavy Atom Count:11
Complexity:233
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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