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104903-79-9

104903-79-9 structural image
Product Name: BETA-SECRETASE SUBSTRATE IV, FLUOROGENIC
Formula: C15H22O3
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COMPUTED DESCRIPTORS

Molecular Weight 250.33 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 250.15689456 g/mol
Monoisotopic Mass 250.15689456 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 435
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(4S)-4-((1R,2S)-2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one is a natural product found in Fusarium sambucinum and Fusarium sporotrichioides with data available.