Amoxicillin

Compound Structure

CAS Number: 26787-78-0

Molecular Mass: 365.4 g/mol

Formula: C16H19N3O5S

Smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Dimethylformamide 278.15 - 26.74 [444]
Dimethylformamide 283.15 - 30.83 [444]
Dimethylformamide 288.15 - 36.54 [444]
Dimethylformamide 293.15 - 43.0 [444]
Dimethylformamide 298.15 - 50.39 [444]
Dimethylformamide 303.15 - 57.88 [444]
Dimethylformamide 308.15 - 65.79 [444]
Dimethylformamide 313.15 - 73.96 [444]
Dimethylformamide 318.15 - 82.66 [444]
Dimethylformamide 323.15 - 92.97 [444]
Dimethylformamide 328.15 - 104.4 [444]
Ethylene Glycol 278.15 - 13.41 [444]
Ethylene Glycol 283.15 - 16.94 [444]
Ethylene Glycol 288.15 - 21.03 [444]
Ethylene Glycol 293.15 - 26.53 [444]
Ethylene Glycol 298.15 - 32.92 [444]
Ethylene Glycol 303.15 - 39.36 [444]
Ethylene Glycol 308.15 - 47.57 [444]
Ethylene Glycol 313.15 - 56.67 [444]
Ethylene Glycol 318.15 - 68.58 [444]
Ethylene Glycol 323.15 - 83.82 [444]
Ethylene Glycol 328.15 - 104.3 [444]
Isopropanol 278.15 - 5.002 [444]
Isopropanol 283.15 - 6.374 [444]
Isopropanol 288.15 - 7.837 [444]
Isopropanol 293.15 - 9.371 [444]
Isopropanol 298.15 - 11.65 [444]
Isopropanol 303.15 - 14.02 [444]
Isopropanol 308.15 - 17.06 [444]
Isopropanol 313.15 - 20.15 [444]
Isopropanol 318.15 - 23.96 [444]
Isopropanol 323.15 - 28.48 [444]
Isopropanol 328.15 - 33.41 [444]
N-Methyl-2-pyrrolidone 278.15 - 10.29 [444]
N-Methyl-2-pyrrolidone 283.15 - 13.04 [444]
N-Methyl-2-pyrrolidone 288.15 - 16.6 [444]
N-Methyl-2-pyrrolidone 293.15 - 19.95 [444]
N-Methyl-2-pyrrolidone 298.15 - 23.32 [444]
N-Methyl-2-pyrrolidone 303.15 - 26.85 [444]
N-Methyl-2-pyrrolidone 308.15 - 30.66 [444]
N-Methyl-2-pyrrolidone 313.15 - 34.77 [444]
N-Methyl-2-pyrrolidone 318.15 - 39.57 [444]
N-Methyl-2-pyrrolidone 323.15 - 44.27 [444]
N-Methyl-2-pyrrolidone 328.15 - 49.09 [444]
Water 278.15 - 1.252 [444]
Water 283.15 - 1.469 [444]
Water 288.15 - 1.722 [444]
Water 293.15 - 2.067 [444]
Water 298.15 - 2.532 [444]
Water 303.15 - 3.062 [444]
Water 308.15 - 3.64 [444]
Water 313.15 - 4.277 [444]
Water 318.15 - 5.046 [444]
Water 323.15 - 6.056 [444]
Water 328.15 - 7.144 [444]

Molecule 3D descriptors

Descriptor Value
PMI1 1203.9030
PMI2 4787.0922
PMI3 4991.9901
NPR1 0.2412
NPR2 0.9590
RadiusOfGyration 3.8766
InertialShapeFactor 0.0008
Eccentricity 0.9705
Asphericity 0.4515
SpherocityIndex 0.3431
PBF 1.1626