1,2-Dilauroyl-sn-glycero-3-phosphocholine
C32H64NO8P
18194-25-7 Copyright (C) 2025 ACS
 42 41  0  0  1  0  0  0  0  0999 V2000
   14.6303   10.6697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8603    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1704   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603   12.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6303    8.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404   12.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    6.6685    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   18.4804   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503   10.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0903    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5266    7.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.2504   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2504   10.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7905   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0903    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5605   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    1.3337    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
   23.1005   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302   16.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5266    0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1940    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8705   16.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901   16.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4106   16.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1806   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7206   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   18.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4906   18.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   18.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0307   18.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8007   20.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  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
  7 10  1  0  0  0  0
  7 11  2  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
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 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
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 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
M  CHG  2  14  -1  24   1
M  END
> <cas.rn>
18194-25-7

> <ca.index.name>
3,5,9-Trioxa-4-phosphaheneicosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-, inner salt, 4-oxide, (7R)-

> <molecular.formula>
C32H64NO8P

> <smiles.canonical>
O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCC

> <smiles.isomeric>
[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])(COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O

> <molecular.weight>
621.83

> <melting.point.experimental>
-2 °C

> <pka.predicted>
1.161±0.50    Most Acidic Temp: 25 °C

$$$$
