C6-Ceramide
C24H47NO3
124753-97-5 Copyright (C) 2024 ACS
 28 27  0  0  1  0  0  0  0  0999 V2000
    9.3360    2.3101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0023    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.0801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3360    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0078    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3416    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6753    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <cas.rn>
124753-97-5

> <cas.index.name>
Hexanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-

> <molecular.formula>
C24H47NO3

> <molecular.weight>
397.64

> <boiling.point.predicted>
574.687±50.00 °C    Press: 760.00 Torr

> <density.predicted>
0.947±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.529±0.20    Most Acidic Temp: 25 °C

$$$$
