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7004-09-3

7004-09-3 structural image
Product Name: Isoleucine
Formula: C6H13NO2
Synonyms: (2S,3S)-2-Amino-3-methylpentanoic acid;L-Isoleucine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Glistening solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Boiling Point 225.00 to 226.00 °C. @ 760.00 mm Hg
Melting Point 275 °C
Solubility 21.4 mg/mL at 25 °C
LogP -1.70
Chemical Classes Biological Agents -> Amino Acids and Derivatives

COMPUTED DESCRIPTORS

Molecular Weight 131.17 g/mol
XLogP3 -1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 131.094628657 g/mol
Monoisotopic Mass 131.094628657 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 103
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-amino-3-methylpentanoic acid is a branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. It is an alpha-amino acid and a branched-chain amino acid.