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7013-32-3

7013-32-3 structural image
Product Name: L-Threonine, [U-14C]
Formula: C4H9NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index]
Color/Form Colorless crystals
Melting Point 256 dec °C
Solubility 97000 mg/L (at 25 °C)
Vapor Pressure 0.00000004 [mmHg]
LogP -2.94
LogS -0.09
Decomposition When heated to decomposition it emits toxic fumes of /nitric oxide/.
Ionization Efficiency Negative
Dissociation Constants 5.60
Collision Cross Section 141.36 Ų [M-H]- [CCS Type: DT, Method: stepped-field]
Other Experimental Properties Orthorhombic crystals, decomposes at 229-230 °C /Threonine, DL-form hemihydrate/
Chemical Classes Biological Agents -> Amino Acids and Derivatives

COMPUTED DESCRIPTORS

Molecular Weight 119.12 g/mol
XLogP3 -2.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 119.058243149 g/mol
Monoisotopic Mass 119.058243149 g/mol
Topological Polar Surface Area 83.6 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 93.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

L-threonine is an optically active form of threonine having L-configuration. It has a role as a nutraceutical, a micronutrient, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite, a human metabolite, an algal metabolite and a mouse metabolite. It is an aspartate family amino acid, a proteinogenic amino acid, a threonine and a L-alpha-amino acid. It is a conjugate base of a L-threoninium. It is a conjugate acid of a L-threoninate. It is an enantiomer of a D-threonine. It is a tautomer of a L-threonine zwitterion.

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