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L-Isoleucine-2-d1

CAT: 0572-TRC-I820176-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I820176-10MGSize:10 mg
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CAS Number
127290-60-2
Synonyms
L-Isoleucine-2-d1; L-Isoleucine-2-d (9CI, ACI); L-Isoleucine-2-D; (2S,3S)-2-Amino-3-methylpentanoic-2-d acid
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H][C@](N)([C@@H](C)CC)C(=O)O
Molecular Formula
C6 D H12 N O2
Molecular Weight
132.179
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/i5D
Additionnal Information
IUPAC name: (2S,3S)-2-amino-2-deuterio-3-methylpentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

l-Isoleucine-2-d1
CAS Number127290-60-2
PubChem CID13000967
IUPAC Name(2S,3S)-2-amino-2-deuterio-3-methylpentanoic acid
Molecular FormulaC6H13NO2
Molecular Weight132.18
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
[2H][C@]([C@@H](C)CC)(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/i5D
InChIKey
AGPKZVBTJJNPAG-XIEIMECNSA-N
Chemical Structure
2D Structure
2D structure of l-Isoleucine-2-d1
CAS: 127290-60-2
CID: 13000967
Formula: C6H13NO2
MW: 132.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.18
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.100905403
Monoisotopic Mass132.100905403
Topological Polar Surface Area63.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count1
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes