(-)-Phyllostine
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(-)-Phyllostine
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CAS No:
27270-89-9
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Formula:
C7H6O4
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Chemical Name:
(-)-Phyllostine
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Synonyms:
(-)-Phyllostine;(1R,6S)-3-Hydroxymethyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione;(1α,6α)-3-(Hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2,5-dione;(5S,6R)-2-(Hydroxymethyl)-5,6-epoxy-2-cyclohexene-1,4-dione;Phyllostine
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CAS No:
Description
Phyllostine is an epoxide resulting from epoxidation of the 5-6 double bond of 2-(hydroxymethyl)-1,4-benzoquinone (the 5S,6R enantiomer). It has a role as a Penicillium metabolite. It is an epoxide, a cyclic ketone and a primary allylic alcohol.
Computed Properties
Molecular Weight:154.12
XLogP3:-0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:154.02660867
Monoisotopic Mass:154.02660867
Topological Polar Surface Area:66.9
Heavy Atom Count:11
Complexity:266
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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