β-D-Fructopyranose
C6H12O6
7660-25-5 Copyright (C) 2024 ACS
 12 12  0  0  1  0  0  0  0  0999 V2000
    1.4472    1.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    3.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270    2.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3970    1.3337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3970    4.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9370    1.3337    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9370    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070    2.6673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  1  1  1  0  0  0
  7  3  1  6  0  0  0
  8  4  1  6  0  0  0
 10  5  1  1  0  0  0
 12  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <cas.rn>
7660-25-5

> <cas.index.name>
β-D-Fructopyranose

> <molecular.formula>
C6H12O6

> <molecular.weight>
180.16

> <melting.point.experimental>
103.2 °C

> <boiling.point.predicted>
401.066±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.759±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.520±0.70    Most Acidic Temp: 25 °C

$$$$
