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L-Allo-isoleucine

CAT: 0572-TRC-A548200-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A548200-250MGSize:250 mg
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CAS Number
1509-34-8
Synonyms
L-Alloisoleucine; Alloisoleucine (6CI); Alloisoleucine, L- (8CI); (2S,3R)-2-Amino-3-methylpentanoic acid; (3R)-LS-Isoleucine; Allo-L-Isoleucine; L(+)-Alloisoleucine; L-Isoleucine, allo-; L-Isoleucine, threo-; L-Norvaline, 3-methyl-, threo-; L-allo-Isoleucine; NSC 206282; Pentanoic acid, 2-amino-3-methyl-, [S-(R*,S*)]-; [S-(R*,S*)]-2-Amino-3-methylpentanoic acid; allo-Isoleucine
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+/m1/s1
Additionnal Information
IUPAC name: (2S,3R)-2-amino-3-methylpentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Alloisoleucine, DL-

L-alloisoleucine is an optically active form of alloisoleucine having L-(2S,3R)-configuration. It has a role as a human metabolite. It is an alloisoleucine and a non-proteinogenic L-alpha-amino acid. It is an enantiomer of a D-alloisoleucine. It is a tautomer of a L-alloisoleucine zwitterion.

CAS Number1509-34-8
PubChem CID99288
IUPAC Name(2S,3R)-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+/m1/s1
InChIKey
AGPKZVBTJJNPAG-UHNVWZDZSA-N
Chemical Structure
2D Structure
2D structure of Alloisoleucine, DL-
CAS: 1509-34-8
CID: 99288
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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Alternative Products

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MBS3609988-01L-allo-Isoleucine
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453193-01L-Allo-isoleucine-d10
239136-01L-allo-Isoleucine 99+%
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sc-285208ABoc-N-methyl-L-allo-isoleucine
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