Estriol

Compound Structure

CAS Number: 50-27-1

Molecular Mass: 288.4 g/mol

Formula: C18H24O3

Smiles: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Nonanol 293.2 - 12.3 [457]
1-Nonanol 298.2 - 14.35 [457]
1-Nonanol 303.2 - 17.25 [457]
1-Nonanol 308.2 - 19.18 [457]
1-Nonanol 313.2 - 21.6 [457]
1-Nonanol 318.2 - 24.17 [457]
1-Nonanol 323.2 - 27.56 [457]
1-Nonanol 328.2 - 32.6 [457]
1-Octanol 293.2 - 10.9 [457]
1-Octanol 298.2 - 12.42 [457]
1-Octanol 303.2 - 13.63 [457]
1-Octanol 308.2 - 15.79 [457]
1-Octanol 313.2 - 18.87 [457]
1-Octanol 318.2 - 21.89 [457]
1-Octanol 323.2 - 26.55 [457]
1-Octanol 328.2 - 30.82 [457]
1-Pentanol 293.2 - 6.492 [457]
1-Pentanol 298.2 - 7.583 [457]
1-Pentanol 303.2 - 9.729 [457]
1-Pentanol 308.2 - 12.36 [457]
1-Pentanol 313.2 - 15.64 [457]
1-Pentanol 318.2 - 21.25 [457]
1-Pentanol 323.2 - 25.32 [457]
1-Pentanol 328.2 - 31.61 [457]
2-Butanol 293.2 - 5.942 [457]
2-Butanol 298.2 - 7.82 [457]
2-Butanol 303.2 - 9.96 [457]
2-Butanol 308.2 - 12.49 [457]
2-Butanol 313.2 - 13.97 [457]
2-Butanol 318.2 - 16.36 [457]
2-Butanol 323.2 - 20.42 [457]
2-Butanol 328.2 - 24.72 [457]
Dimethylformamide 293.2 - 4.197 [457]
Dimethylformamide 298.2 - 5.894 [457]
Dimethylformamide 303.2 - 9.584 [457]
Dimethylformamide 308.2 - 15.77 [457]
Dimethylformamide 313.2 - 21.43 [457]
Dimethylformamide 318.2 - 35.29 [457]
Dimethylformamide 323.2 - 47.8 [457]
Dimethylformamide 328.2 - 66.2 [457]
Dodecane 293.2 - 0.9142 [457]
Dodecane 298.2 - 0.9843 [457]
Dodecane 303.2 - 1.16 [457]
Dodecane 308.2 - 1.196 [457]
Dodecane 313.2 - 1.594 [457]
Dodecane 318.2 - 2.219 [457]
Dodecane 323.2 - 2.999 [457]
Dodecane 328.2 - 3.501 [457]
N-Methyl-2-pyrrolidone 293.2 - 1.248 [457]
N-Methyl-2-pyrrolidone 298.2 - 2.027 [457]
N-Methyl-2-pyrrolidone 303.2 - 3.131 [457]
N-Methyl-2-pyrrolidone 308.2 - 5.17 [457]
N-Methyl-2-pyrrolidone 313.2 - 8.143 [457]
N-Methyl-2-pyrrolidone 318.2 - 10.74 [457]
N-Methyl-2-pyrrolidone 323.2 - 14.44 [457]
N-Methyl-2-pyrrolidone 328.2 - 21.07 [457]
Octane 293.2 - 1.102 [457]
Octane 298.2 - 1.297 [457]
Octane 303.2 - 1.532 [457]
Octane 308.2 - 1.797 [457]
Octane 313.2 - 2.134 [457]
Octane 318.2 - 2.38 [457]
Octane 323.2 - 2.606 [457]
Octane 328.2 - 3.171 [457]
Water 293.2 - 1.838 [457]
Water 298.2 - 2.153 [457]
Water 303.2 - 2.673 [457]
Water 308.2 - 3.033 [457]
Water 313.2 - 4.849 [457]
Water 318.2 - 6.673 [457]
Water 323.2 - 9.105 [457]
Water 328.2 - 12.65 [457]

Molecule 3D descriptors

Descriptor Value
PMI1 600.2239
PMI2 3312.6813
PMI3 3708.5600
NPR1 0.1618
NPR2 0.8933
RadiusOfGyration 3.6351
InertialShapeFactor 0.0015
Eccentricity 0.9868
Asphericity 0.5914
SpherocityIndex 0.1913
PBF 0.6971