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Acetyl carnitine-d3 HCl

CAT: 0607-SL1012-1Size: 1 mgDry Ice: NoHazardous: No
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Description
A stable isotope deuterated compound of Acetyl L-Carnitine Hydrochloride
CAS Number
1334532-17-0
Product Name Alternative
(R) -2-acetoxy-3-carboxy-N, N-dimethyl-N- (methyl-d3) propan-1-aminium chloride
Smiles
OC (C[C@@H] (OC (C) =O) C[N+] (C) (C) C ([2H]) ([2H]) [2H]) =O.[Cl-]
Molecular Formula
C9H15D3ClNO4
Molecular Weight
242.72
Storage Conditions
Store at -20°C

Chemical Information

[(2R)-2-Acetyloxy-4-hydroxy-4-oxobutyl]-dimethyl-(trideuteriomethyl)azanium chloride
CAS Number1334532-17-0
PubChem CID71309740
IUPAC Name[(2R)-2-acetyloxy-3-carboxypropyl]-dimethyl-(trideuteriomethyl)azanium chloride
Molecular FormulaC9H18ClNO4
Molecular Weight242.71
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity219
SMILES
[2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)C.[Cl-]
InChI
InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i2D3;
InChIKey
JATPLOXBFFRHDN-WVKKGGDISA-N
Chemical Structure
2D Structure
2D structure of [(2R)-2-Acetyloxy-4-hydroxy-4-oxobutyl]-dimethyl-(trideuteriomethyl)azanium chloride
CAS: 1334532-17-0
CID: 71309740
Formula: C9H18ClNO4
MW: 242.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass242.1112660
Monoisotopic Mass242.1112660
Topological Polar Surface Area63.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity219
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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