Octyl β-D-glucopyranoside
C14H28O6
29836-26-8 Copyright (C) 2025 ACS
 20 20  0  0  1  0  0  0  0  0999 V2000
    5.3348    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6698    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0046    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0012    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    5.3901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6675    2.3101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3338    4.6201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3338    3.0801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 15  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 17 10  1  1  0  0  0
 11 12  1  0  0  0  0
 18 11  1  6  0  0  0
 19 13  1  6  0  0  0
 20 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <cas.rn>
29836-26-8

> <cas.index.name>
β-D-Glucopyranoside, octyl

> <molecular.formula>
C14H28O6

> <molecular.weight>
292.37

> <melting.point.experimental>
108-109 °C

> <boiling.point.predicted>
454.110±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.187±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.950±0.70    Most Acidic Temp: 25 °C

$$$$
