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CAS No.: | 2304-81-6 |
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Name: | C18 CERAMIDE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C36H71NO3 |
Molecular Weight: | 565.965 |
Synonyms: | N-Stearoylsphingenine;N-Stearoylsphingosine;C18:0 Ceramide;D-erythro-1,3-Dihydroxy-2-octadecanoylamido-trans-4-octadecene;N-Stearoyl-C18-sphingosine;N-Stearoyl-D-erythro-sphingosine;N-Stearoyl-D-sphingosine;C18-Ceramide;Octadecanamide, N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-,[R-[R*,S*-(E)]]-;Octadecanamide,N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-, (E)-D-erythro- (8CI);Octadecanamide,N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]- (9CI); |
Density: | 0.915 g/cm3 |
Melting Point: | 99-101 °C |
Boiling Point: | 694.5 °C at 760 mmHg |
Flash Point: | 373.8 °C |
Appearance: | off white powder |
Safety: | 24/25 |
PSA: | 69.56000 |
LogP: | 10.73410 |
The C18 Ceramide, with the CAS registry number 2304-81-6, has the systematic name of N-[(3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octadecanamide. It is also called N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-octadecanamide. And the molecular formula of this chemical is C36H71NO3. In addition, it is a kind of off white powder, and belongs to the following product categories: Mixed Fatty Acids; Activators; Fatty Acid Derivatives & Lipids; Glycerols; Protein Kinase Inhibitors and Activators. What's more, it should be stored at -20°C, and while dealing with it, you should avoid contact with skin and eyes.
The physical properties of C18 Ceramide are as following: (1)ACD/LogP: 14.40; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.4; (4)ACD/LogD (pH 7.4): 14.4; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 34; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 175.5 cm3; (15)Molar Volume: 618 cm3; (16)Polarizability: 69.57×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 0.915 g/cm3; (19)Flash Point: 373.8 °C; (20)Enthalpy of Vaporization: 116.32 kJ/mol; (21)Boiling Point: 694.5 °C at 760 mmHg; (22)Vapour Pressure: 2.59E-22 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+
(3)InChIKey: VODZWWMEJITOND-OWWNRXNEBB