Sodium picosulphate

Compound Structure

CAS Number: 10040-45-6

Molecular Mass: 481.4 g/mol

Formula: C18H13NNa2O8S2

Smiles: O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+]

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 298.15 - 0.52 [305]
1-Butanol 303.15 - 1.0 [305]
1-Butanol 308.15 - 2.6 [305]
1-Butanol 313.15 - 5.68 [305]
1-Butanol 318.15 - 11.3 [305]
1-Propanol 298.15 - 1.3 [305]
1-Propanol 303.15 - 2.6 [305]
1-Propanol 308.15 - 4.4 [305]
1-Propanol 313.15 - 8.84 [305]
1-Propanol 318.15 - 17.6 [305]
Acetic acid 298.15 - 11.7 [305]
Acetic acid 303.15 - 15.8 [305]
Acetic acid 308.15 - 20.8 [305]
Acetic acid 313.15 - 28.1 [305]
Acetic acid 318.15 - 37.8 [305]
Acetonitrile 298.15 - 0.91 [305]
Acetonitrile 303.15 - 0.9 [305]
Acetonitrile 308.15 - 2.7 [305]
Acetonitrile 313.15 - 4.5 [305]
Acetonitrile 318.15 - 8.9 [305]
Dimethyl sulfoxide 298.15 - 33.2 [305]
Dimethyl sulfoxide 303.15 - 39.2 [305]
Dimethyl sulfoxide 308.15 - 46.5 [305]
Dimethyl sulfoxide 313.15 - 55.7 [305]
Dimethyl sulfoxide 318.15 - 66.3 [305]
Dimethylformamide 298.15 - 172.0 [305]
Dimethylformamide 303.15 - 205.1 [305]
Dimethylformamide 308.15 - 247.7 [305]
Dimethylformamide 313.15 - 297.2 [305]
Dimethylformamide 318.15 - 361.9 [305]
Ethanol 298.15 - 9.04 [305]
Ethanol 303.15 - 12.3 [305]
Ethanol 308.15 - 17.1 [305]
Ethanol 313.15 - 24.0 [305]
Ethanol 318.15 - 33.0 [305]
Methanol 298.15 - 115.0 [305]
Methanol 303.15 - 137.8 [305]
Methanol 308.15 - 168.1 [305]
Methanol 313.15 - 210.2 [305]
Methanol 318.15 - 250.9 [305]
Water 298.15 - 585.4 [305]
Water 303.15 - 687.8 [305]
Water 308.15 - 818.7 [305]
Water 313.15 - 953.1 [305]
Water 318.15 - 1097.0 [305]

Molecule 3D descriptors

Descriptor Value
PMI1 2199.3288
PMI2 8818.4342
PMI3 10348.4406
NPR1 0.2125
NPR2 0.8522
RadiusOfGyration 4.7107
InertialShapeFactor 0.0004
Eccentricity 0.9772
Asphericity 0.4931
SpherocityIndex 0.2254
PBF 0.9494