L-Alloisoleucine is a branched-chain amino acid (AA) and a stereoisomer of L-isoleucine, a common component of human plasma (albeit at low levels).

Physicochemical Properties

Molecular Formula	C6H13NO2
Molecular Weight	131.1729
Exact Mass	131.094
CAS #	1509-34-8
Related CAS #	L-Alloisoleucine-d10;202529-06-4
PubChem CID	99288
Appearance	White to off-white solid powder
Density	1.0±0.1 g/cm3
Boiling Point	225.8±23.0 °C at 760 mmHg
Melting Point	-285ºC
Flash Point	90.3±22.6 °C
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.463
LogP	0.73
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Complexity	103
Defined Atom Stereocenter Count	2
SMILES	CC[C@@H](C)[C@@H](C(=O)O)N
InChi Key	AGPKZVBTJJNPAG-UHNVWZDZSA-N
InChi Code	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
Chemical Name	(2S,3R)-2-amino-3-methylpentanoic acid
Synonyms	L-alloIsoleucine.; L-allo-Isoleucine
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Additional Infomation

L-alloisoleucine is an optically active form of alloisoleucine having L-(2S,3R)-configuration. It has a role as a human metabolite. It is a non-proteinogenic L-alpha-amino acid and an alloisoleucine. It is an enantiomer of a D-alloisoleucine. It is a tautomer of a L-alloisoleucine zwitterion. Alloisoleucine is the optically active form of the amino acid alloisoleucine with an L-(2S,3R)-configuration, derived from endogenous L-isoleucine, that is an intermediate in the metabolism of branched-chain amino acids. Detection of alloisoleucine in plasma is diagnostic for maple-syrup urine disease (MSUD). An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.

Solubility Data

Solubility (In Vitro)	H2O : ~10 mg/mL (~76.24 mM) DMSO :< 1 mg/mL
Solubility (In Vivo)	Solubility in Formulation 1: 25 mg/mL (190.59 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	7.6237 mL	38.1185 mL	76.2369 mL
	5 mM	1.5247 mL	7.6237 mL	15.2474 mL
	10 mM	0.7624 mL	3.8118 mL	7.6237 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.