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D-Alloisoleucine

CAT: 1489-D4420-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-D4420-01Size:1 g
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CAS Number
1509-35-9
Purity
0.98

Chemical Information

Alloisoleucine, D-

D-alloisoleucine is a D-alpha-amino acid and an alloisoleucine. It is an enantiomer of a L-alloisoleucine. It is a tautomer of a D-alloisoleucine zwitterion.

CAS Number1509-35-9
PubChem CID94206
IUPAC Name(2R,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-CRCLSJGQSA-N
Chemical Structure
2D Structure
2D structure of Alloisoleucine, D-
CAS: 1509-35-9
CID: 94206
Formula: C6H13NO2
MW: 131.17
Interactive 3D Structure
Loading 3D structure...
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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