DPhPC
C48H96NO8P
207131-40-6 Copyright (C) 2025 ACS
 58 57  0  0  1  0  0  0  0  0999 V2000
   19.2504   10.6697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4804   12.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7905   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4804    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5605   12.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2504    8.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1704   13.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1704   10.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1005   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4804    6.6685    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   14.6303   13.3370    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.8705   13.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8705   10.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7104    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1467    7.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8141    5.8985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.8603   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4106   13.3370    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.4804    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1806   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1806   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7104    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503   16.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7206   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4804    1.3337    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
   10.0102   16.0045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.4906   16.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2504    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8141    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1467    0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402   17.3382    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
   30.0307   16.0045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7002   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8007   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8007   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302   18.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3407   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901   18.6718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   33.1107   18.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   20.0057    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
   34.6508   18.6718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0801   20.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4208   20.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4208   17.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   21.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9608   20.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   21.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7308   21.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.6730    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
   39.2709   21.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0409   22.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0409   20.0057    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
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 34 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 38 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
 42 45  1  0  0  0  0
 43 46  1  0  0  0  0
 44 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  1  0  0  0  0
 50 52  1  0  0  0  0
 51 53  1  0  0  0  0
 52 54  1  0  0  0  0
 52 55  1  0  0  0  0
 53 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
M  CHG  2  17  -1  28   1
M  END
> <cas.rn>
207131-40-6

> <ca.index.name>
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-10-oxo-7-[(3,7,11,15-tetramethyl-1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R)-

> <molecular.formula>
C48H96NO8P

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

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

> <molecular.weight>
846.25

> <melting.point.experimental>
<-120 °C

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

$$$$
