1,14-Bis[(acetyloxy)methyl] 3,12-bis[2-[(acetyloxy)methoxy]-2-oxoethyl]-6,9-d...
C26H40N2O18
99590-86-0 Copyright (C) 2024 ACS
 46 45  0  0  0  0  0  0  0  0999 V2000
    9.3358    8.4700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694   10.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032   11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032   13.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   13.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3379   16.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3379   17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6716   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043   18.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   16.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043   20.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   17.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3390   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   17.7100    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
   22.6727   16.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   22.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0063   15.4000    0.0000 O   0  0  0  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
   25.3399   16.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   24.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032   22.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3399   17.7100    0.0000 O   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  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
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 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
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  1  0  0  0  0
 32 36  2  0  0  0  0
 33 37  1  0  0  0  0
 35 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
 41 44  2  0  0  0  0
 42 45  1  0  0  0  0
 42 46  2  0  0  0  0
M  END
> <cas.rn>
99590-86-0

> <cas.index.name>
6,9-Dioxa-3,12-diazatetradecanedioic acid, 3,12-bis[2-[(acetyloxy)methoxy]-2-oxoethyl]-, 1,14-bis[(acetyloxy)methyl] ester

> <molecular.formula>
C26H40N2O18

> <molecular.weight>
668.60

> <boiling.point.predicted>
664.189±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.304±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.350±0.50    Most Basic Temp: 25 °C

$$$$
