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506-13-8

506-13-8 structural image
Product Name: 16-HYDROXYHEXADECANOIC ACID
Formula: C16H32O3
Synonyms: 16-Hydroxypalmitic acid;Juniperic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 94.00 to 98.00 °C. @ 760.00 mm Hg
Collision Cross Section 178.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 272.42 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 15
Exact Mass 272.23514488 g/mol
Monoisotopic Mass 272.23514488 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 192
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

16-hydroxyhexadecanoic acid is an omega-hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle. It has a role as a plant metabolite. It is an omega-hydroxy-long-chain fatty acid and a hydroxypalmitic acid. It is a conjugate acid of a 16-hydroxyhexadecanoate.