β-Artemether

Compound Structure

CAS Number: 71963-77-4

Molecular Mass: 298.37 g/mol

Formula: C16H26O5

Smiles: CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 289.05 - 211.5 [424]
Ethanol 290.85 - 228.2 [424]
Ethanol 293.95 - 264.5 [424]
Ethanol 296.95 - 320.7 [424]
Ethanol 299.05 - 371.6 [424]
Ethanol 301.05 - 419.3 [424]
Ethanol 303.95 - 501.3 [424]
Ethanol 306.95 - 622.3 [424]
Ethanol 308.45 - 662.9 [424]
Ethanol 310.45 - 768.4 [424]
Ethanol 313.2 - 983.9 [424]
Ethanol 316.25 - 1241.8 [424]
Ethanol 318.95 - 1668.5 [424]
Ethanol 322.65 - 2278.0 [424]
Ethanol 326.05 - 3109.6 [424]
Ethanol 328.65 - 3887.7 [424]
Methanol 289.45 - 200.2 [424]
Methanol 291.15 - 224.2 [424]
Methanol 294.05 - 261.2 [424]
Methanol 296.95 - 309.4 [424]
Methanol 299.05 - 355.1 [424]
Methanol 300.75 - 399.4 [424]
Methanol 303.55 - 504.9 [424]
Methanol 306.35 - 651.3 [424]
Methanol 308.25 - 792.9 [424]
Methanol 310.15 - 949.1 [424]
Methanol 312.95 - 1261.1 [424]
Methanol 315.65 - 1643.7 [424]
Methanol 317.35 - 2046.2 [424]
Methanol 319.45 - 3019.1 [424]
Methanol 322.05 - 3917.4 [424]

Molecule 3D descriptors

Descriptor Value
PMI1 1191.6296
PMI2 1545.2811
PMI3 2081.3501
NPR1 0.5725
NPR2 0.7424
RadiusOfGyration 2.8415
InertialShapeFactor 0.0006
Eccentricity 0.8199
Asphericity 0.1037
SpherocityIndex 0.4406
PBF 1.0461