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Tetradecanoylcarnitine

CAS No.:
25597-07-3
Catalog Number:
AG01EOGH
Molecular Formula:
C21H41NO4
Molecular Weight:
371.5545
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Product Description
Catalog Number:
AG01EOGH
Chemical Name:
Tetradecanoylcarnitine
CAS Number:
25597-07-3
Molecular Formula:
C21H41NO4
Molecular Weight:
371.5545
MDL Number:
MFCD28580114
IUPAC Name:
(3R)-3-tetradecanoyloxy-4-(trimethylazaniumyl)butanoate
InChI:
InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1
InChI Key:
PSHXNVGSVNEJBD-LJQANCHMSA-N
SMILES:
CCCCCCCCCCCCCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)[O-]
UNII:
3IBA3JH87O
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
371.304g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.562g/mol
Monoisotopic Mass:
371.304g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Properties