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41753-54-2

41753-54-2 structural image
Product Name: HOLOCALIN
Formula: C14H17NO7
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COMPUTED DESCRIPTORS

Molecular Weight 311.29 g/mol
XLogP3 -0.9
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 311.10050188 g/mol
Monoisotopic Mass 311.10050188 g/mol
Topological Polar Surface Area 143 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 411
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
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

(R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile is a natural product found in Oxyanthus speciosus and Sambucus nigra with data available.