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37571-96-3

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Basic Information
CAS No.: 37571-96-3
Name: N-Hexadecanoyl-L-phenlyalanine
Article Data: 14
Molecular Structure:
Molecular Structure of 37571-96-3 (N-Hexadecanoyl-L-phenlyalanine)
Formula: C25H41NO3
Molecular Weight: 403.605
Synonyms: Alanine,N-palmitoyl-3-phenyl-, L- (6CI,7CI);N-Caproylphenylalanine;N-Palmitoyl-L-phenylalanine;
Density: 0.999g/cm3
Melting Point: 88 - 90 °C
Boiling Point: 580.3°Cat760mmHg
Flash Point: 304.7°C
PSA: 66.40000
LogP: 6.67070
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Specification

The N-Hexadecanoyl-L-phenlyalanine with cas registry number of 37571-96-3, its system generated number is 0037571963. Its IUPAC name is (2S)-2-(hexadecanoylamino)-3-phenylpropanoic acid. And systematic name is L-Phenylalanine, N-(1-oxohexadecyl)-. And it is also called Alanine, N-palmitoyl-3-phenyl-, L-. 

Physical properties about this chemical are: (1)XLogP3-AA: 8.5; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 18; (5)Tautomer Count: 2; (6)Exact Mass: 403.308644; (7)MonoIsotopic Mass: 403.308644; (8)Topological Polar Surface Area: 66.4; (9)Heavy Atom Count: 29; (10)Formal Charge: 0; (11)Complexity: 418; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 1; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure: (1)InChI: InChI=1/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)26-23(25(28)29)21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1; (2)SMILES: C([C@@H](NC(CCCCCCCCCCCCCCC)=O)Cc1ccccc1)(=O)O.