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L-Isoleucine

CAT: 0572-TRC-I820175-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I820175-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73-32-5
Synonyms
Isoleucine; L-Isoleucine (9CI, ACI); Isoleucine, L- (8CI); (2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-α-Amino-β-methyl-n-valeric acid; (2S,3S)-α-Amino-β-methylvaleric acid; (S)-Isoleucine; (S,S)-Isoleucine; 2-Amino-3-methylvaleric acid; 2S,3S-Isoleucine; 362: PN: US20220128567 SEQID: 532 claimed protein; 362: PN: US20220178935 SEQID: 532 claimed protein; 516: PN: WO2022056313 SEQID: 532 claimed protein; L-(+)-Isoleucine; L-Ile; L-Norvaline, 3-methyl-, erythro-; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid; erythro-L-Isoleucine; Isoleucine, (2S,3ξ)-; NSC 46708; Pentanoic acid, 2-amino-3-methyl-, (2S,3S)-
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC[C@H](C)[C@H](N)C(=O)O
Molecular Formula
C6 H13 N O2
Molecular Weight
131.17
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Additionnal Information
IUPAC name: (2S,3S)-2-amino-3-methylpentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

L-Isoleucine

L-isoleucine is the L-enantiomer of isoleucine. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite, a human metabolite and an algal metabolite. It is a L-alpha-amino acid, an aspartate family amino acid, an isoleucine and a proteinogenic amino acid. It is a conjugate base of a L-isoleucinium. It is a conjugate acid of a L-isoleucinate. It is an enantiomer of a D-isoleucine. It is a tautomer of a L-isoleucine zwitterion.

CAS Number73-32-5
PubChem CID6306
IUPAC Name(2S,3S)-2-amino-3-methylpentanoic acid
Molecular FormulaC6H13NO2
Molecular Weight131.17
XLogP-1.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity103
SMILES
CC[C@H](C)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey
AGPKZVBTJJNPAG-WHFBIAKZSA-N
Chemical Structure
2D Structure
2D structure of L-Isoleucine
CAS: 73-32-5
CID: 6306
Formula: C6H13NO2
MW: 131.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.17
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass131.094628657
Monoisotopic Mass131.094628657
Topological Polar Surface Area63.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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