Conduritol B epoxide
C6H10O5
6090-95-5 Copyright (C) 2024 ACS
 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8500    4.0011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5400    2.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0800    5.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8500    1.3338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9764    4.7711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836    4.7711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  9  2  1  6  0  0  0
 10  3  1  6  0  0  0
 11  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  6  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <cas.rn>
6090-95-5

> <cas.index.name>
myo-Inositol, 1,2-anhydro-

> <molecular.formula>
C6H10O5

> <molecular.weight>
162.14

> <melting.point.experimental>
154-155 °C

> <boiling.point.predicted>
360.478±42.00 °C    Press: 760.00 Torr

> <density.predicted>
1.926±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.084±0.70    Most Acidic Temp: 25 °C

$$$$
