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Valeryl-L-carnitine Chloride

CAT: 0572-TRC-V091465-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V091465-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162040-64-4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Cl-].CCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Molecular Formula
C12 H23 N O4 . Cl
Molecular Weight
280.768
InChI
InChI=1S/C12H23NO4.ClH/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4;/h10H,5-9H2,1-4H3;1H/p-1/t10-;/m1./s1
Additionnal Information
IUPAC name: (3R)-3-pentanoyloxy-4-(trimethylazaniumyl)butanoate;chloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Valeryl-L-carnitine (chloride)
CAS Number162040-64-4
PubChem CID25105260
IUPAC Name[(2R)-3-carboxy-2-pentanoyloxypropyl]-trimethylazanium chloride
Molecular FormulaC12H24ClNO4
Molecular Weight281.77
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count18
Formal Charge0
Complexity258
SMILES
CCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C12H23NO4.ClH/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4;/h10H,5-9H2,1-4H3;1H/t10-;/m1./s1
InChIKey
REFPVMRTHIMPLJ-HNCPQSOCSA-N
Chemical Structure
2D Structure
2D structure of Valeryl-L-carnitine (chloride)
CAS: 162040-64-4
CID: 25105260
Formula: C12H24ClNO4
MW: 281.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.77
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass281.1393859
Monoisotopic Mass281.1393859
Topological Polar Surface Area63.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity258
Isotope Atom Count0
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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