(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one
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![(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/48d7d0168efd454eac02924f6345d1a1.png "(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one")
(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one
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CAS No:
76375-62-7
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Formula:
C9H12O4
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Chemical Name:
(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one
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Synonyms:
Asperlactone;76375-62-7;2(5H)-Furanone, 5-((1S)-1-hydroxyethyl)-3-((2S,3S)-3-methyloxiranyl)-, (5R)-;DTXSID00227215;CHEBI:156386;ZINC6066875;(5R)-5-[(1S)-1-hydroxyethyl]-3-[(2S,3S)-3-methyloxiran-2-yl]furan-2(5H)-one;(R)-5-((S)-1-Hydroxyethyl)-3-((2S,3S)-3-methyloxiran-2-yl)furan-2(5H)-one
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CAS No:
Description
Asperlactone is a member of the class of butenolides that is furan-2(5H)-one substituted by (2S,3S)-3-methyloxiran-2-yl and (1S)-1-hydroxyethyl group at positions 3 and 5R, respectively. It is a secondary metabolite isolated from Aspergillus ochraceus that exhibits antifungal and antibacterial properties. It has a role as a mycotoxin, an Aspergillus metabolite, an antibacterial agent and an insect growth regulator. It is a butenolide, an epoxide, a secondary alcohol, a polyketide and an antibiotic antifungal agent.
(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2S,3S)-3-methyloxiran-2-yl]-2H-furan-5-one Basic Attributes
184.19 g/mol
184.07355886 g/mol
DTXSID00227215
Computed Properties
Molecular Weight:184.19
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:184.07355886
Monoisotopic Mass:184.07355886
Topological Polar Surface Area:59.1
Heavy Atom Count:13
Complexity:271
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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