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N-Palmitoyl-L-serine

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Name

N-Palmitoyl-L-serine

EINECS 240-466-4
CAS No. 16417-38-2 Density 1.008g/cm3
PSA 86.63000 LogP 4.42030
Solubility N/A Melting Point 96-99 °C
Formula C19H37NO4 Boiling Point 540 °C at 760 mmHg
Molecular Weight 343.507 Flash Point 280.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16417-38-2 (N-Palmitoyl-L-serine) Hazard Symbols N/A
Synonyms

Serine,N-palmitoyl-, L- (8CI);N-Palmitoyl-L-serine;N-Palmitoylserine;

Article Data 9

N-Palmitoyl-L-serine Specification

The N-Palmitoyl-L-serine, its cas register number is 16417-38-2. It also can be called as L-Serine,N-(1-oxohexadecyl)- and the IUPAC name about this chemical is 2-(hexadecanoylamino)-3-hydroxypropanoic acid.

Physical properties about N-Palmitoyl-L-serine are: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 28.75; (6)ACD/BCF (pH 7.4): 2.05; (7)ACD/KOC (pH 5.5): 73.82; (8)ACD/KOC (pH 7.4): 5.27; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 55.84Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 96.75 cm3; (15)Molar Volume: 340.6 cm3; (16)Polarizability: 38.35x10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Enthalpy of Vaporization: 94.01 kJ/mol; (19)Vapour Pressure: 6.5E-14 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)O
(2)InChI: InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24) 
(3)InChIKey: BFVRFWIQTACAPT-UHFFFAOYSA-N

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