DSPS
C42H82NO10P
51446-62-9 Copyright (C) 2023 ACS
 54 53  0  0  1  0  0  0  0  0999 V2000
   13.3369   21.5600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3369   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031   20.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031   23.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031   19.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0041   21.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031   25.4100    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   10.6694   18.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   18.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3378   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031   26.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5431   25.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4631   25.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694   16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6716   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3378   19.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694   27.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   16.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694   29.2600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3358   14.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3389   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   30.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031   30.0300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6725   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021   29.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   31.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0063   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3399   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0074   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3410   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6746   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0083   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3421   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6757   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0094   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3430   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6768   20.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104   21.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  1  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
M  END
> <cas.rn>
51446-62-9

> <cas.index.name>
4,6,10-Trioxa-5-phosphaoctacosanoic acid, 2-amino-5-hydroxy-11-oxo-8-[(1-oxooctadecyl)oxy]-, 5-oxide, (2S,8R)-

> <molecular.formula>
C42H82NO10P

> <molecular.weight>
792.08

> <boiling.point.predicted>
816.3±75.0 °C    Press: 760 Torr

> <density.predicted>
1.039±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
1.31±0.50    Most Acidic Temp: 25 °C

$$$$
