Prednisolone

Compound Structure

CAS Number: 50-24-8

Molecular Mass: 360.4 g/mol

Formula: C21H28O5

Smiles: C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Nonanol 293.2 - 1.049 [463]
1-Nonanol 298.2 - 1.325 [463]
1-Nonanol 303.2 - 1.71 [463]
1-Nonanol 308.2 - 2.042 [463]
1-Nonanol 313.2 - 2.565 [463]
1-Nonanol 318.2 - 3.062 [463]
1-Nonanol 323.2 - 3.614 [463]
1-Nonanol 328.2 - 4.324 [463]
1-Octanol 293.2 - 0.722 [463]
1-Octanol 298.2 - 0.9532 [463]
1-Octanol 303.2 - 1.287 [463]
1-Octanol 308.2 - 1.606 [463]
1-Octanol 313.2 - 2.05 [463]
1-Octanol 318.2 - 2.549 [463]
1-Octanol 323.2 - 3.14 [463]
1-Octanol 328.2 - 3.99 [463]
1-Pentanol 293.2 - 0.9428 [463]
1-Pentanol 298.2 - 1.187 [463]
1-Pentanol 303.2 - 1.483 [463]
1-Pentanol 308.2 - 1.838 [463]
1-Pentanol 313.2 - 2.288 [463]
1-Pentanol 318.2 - 2.871 [463]
1-Pentanol 323.2 - 3.57 [463]
1-Pentanol 328.2 - 4.489 [463]
2-Butanol 293.2 - 0.9727 [463]
2-Butanol 298.2 - 1.147 [463]
2-Butanol 303.2 - 1.405 [463]
2-Butanol 308.2 - 1.714 [463]
2-Butanol 313.2 - 2.03 [463]
2-Butanol 318.2 - 2.397 [463]
2-Butanol 323.2 - 2.85 [463]
2-Butanol 328.2 - 3.417 [463]
Acetonitrile 293.2 - 15.07 [463]
Acetonitrile 298.2 - 16.13 [463]
Acetonitrile 303.2 - 17.31 [463]
Acetonitrile 308.2 - 18.9 [463]
Acetonitrile 313.2 - 20.42 [463]
Acetonitrile 318.2 - 22.21 [463]
Acetonitrile 323.2 - 24.03 [463]
Acetonitrile 328.2 - 26.68 [463]
Dimethylformamide 293.2 - 38.58 [463]
Dimethylformamide 298.2 - 40.8 [463]
Dimethylformamide 303.2 - 44.08 [463]
Dimethylformamide 308.2 - 47.0 [463]
Dimethylformamide 313.2 - 50.03 [463]
Dimethylformamide 318.2 - 53.5 [463]
Dimethylformamide 323.2 - 57.4 [463]
Dimethylformamide 328.2 - 64.51 [463]
Dodecane 293.2 - 0.02283 [463]
Dodecane 298.2 - 0.02588 [463]
Dodecane 303.2 - 0.02936 [463]
Dodecane 308.2 - 0.03374 [463]
Dodecane 313.2 - 0.03808 [463]
Dodecane 318.2 - 0.04315 [463]
Dodecane 323.2 - 0.05047 [463]
Dodecane 328.2 - 0.05848 [463]
N-Methyl-2-pyrrolidone 293.2 - 17.54 [463]
N-Methyl-2-pyrrolidone 298.2 - 19.73 [463]
N-Methyl-2-pyrrolidone 303.2 - 22.8 [463]
N-Methyl-2-pyrrolidone 308.2 - 25.68 [463]
N-Methyl-2-pyrrolidone 313.2 - 29.16 [463]
N-Methyl-2-pyrrolidone 318.2 - 32.66 [463]
N-Methyl-2-pyrrolidone 323.2 - 36.87 [463]
N-Methyl-2-pyrrolidone 328.2 - 41.99 [463]
Water 293.2 - 0.2097 [463]
Water 298.2 - 0.219 [463]
Water 303.2 - 0.2485 [463]
Water 308.2 - 0.278 [463]
Water 313.2 - 0.317 [463]
Water 318.2 - 0.356 [463]
Water 323.2 - 0.39 [463]
Water 328.2 - 0.511 [463]

Molecule 3D descriptors

Descriptor Value
PMI1 1054.4413
PMI2 4645.3203
PMI3 4950.7457
NPR1 0.2130
NPR2 0.9383
RadiusOfGyration 3.8437
InertialShapeFactor 0.0009
Eccentricity 0.9771
Asphericity 0.4967
SpherocityIndex 0.3211
PBF 0.9925