C14 Dihydroceramide

The C14 Dihydroceramide, with the CAS registry number 61389-70-6, is also known as Tetradecanamide, N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-, [R-(R*, S*)]-. It belongs to the product categories of Mixed Fatty Acids; Activators; Fatty Acid Derivatives & Lipids; Glycerols; Inhibitors; Protein Kinase Inhibitors and Activators. This chemical's molecular formula is C₃₂H₆₅NO₃ and molecular weight is 511.87. What's more, its systematic name is N-[(2S, 3R)-1, 3-Dihydroxyoctadecan-2-yl]tetradecanamide.

Physical properties about C14 Dihydroceramide are: (1)ACD/LogP: 11.96; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12; (4)ACD/LogD (pH 7.4): 12; (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: 31; (12)Polar Surface Area: 69.56 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 156.912 cm³; (15)Molar Volume: 558.452 cm³; (16)Polarizability: 62.205×10^-24 cm³; (17)Surface Tension: 35.852 dyne/cm; (18)Density: 0.917 g/cm³; (19)Flash Point: 350.619 °C; (20)Enthalpy of Vaporization: 110.624 kJ/mol; (21)Boiling Point: 656.137 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H]([C@H](O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCC
(2) InChI: InChI=1/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
(3) InChIKey: UDTSZXVRDXQARY-IOWSJCHKBF