Gabapentin enacarbil
C16H27NO6
478296-72-9 Copyright (C) 2024 ACS
 23 23  0  0  0  0  0  0  0  0999 V2000
    4.3668    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7005    2.8943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0343    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3679    2.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0343    5.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7015    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0352    2.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7015    5.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3690    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7026    2.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3690    5.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0363    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7026    1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    4.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    4.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631    6.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332    2.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0231    1.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166    2.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4964    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    1.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
478296-72-9

> <cas.index.name>
Cyclohexaneacetic acid, 1-[[[[1-(2-methyl-1-oxopropoxy)ethoxy]carbonyl]amino]methyl]-

> <molecular.formula>
C16H27NO6

> <molecular.weight>
329.39

> <melting.point.experimental>
65 °C

> <boiling.point.predicted>
482.021±20.00 °C    Press: 760.00 Torr

> <density.predicted>
1.135±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.725±0.10    Most Acidic Temp: 25 °C

$$$$
