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123743-99-7

123743-99-7 structural image
Product Name: β-Hydroxyisovaleric Acid-d8
Formula: C5H2D8O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 65 - 67 °C
LogP 6.300
Kovats Retention Index 985.2

COMPUTED DESCRIPTORS

Molecular Weight 118.13 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 118.062994177 g/mol
Monoisotopic Mass 118.062994177 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 95.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

3-hydroxyisovaleric acid is a 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. It has a role as a human metabolite. It is functionally related to a butyric acid and an isovaleric acid. It is a conjugate acid of a 3-hydroxyisovalerate.

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