Penicillin V Potassium

Compound Structure

CAS Number: 132-98-9

Molecular Mass: 388.5 g/mol

Formula: C16H17KN2O5S

Smiles: CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 278.15 - 3.183 [412]
Ethanol 283.15 - 3.267 [412]
Ethanol 293.15 - 5.772 [412]
Ethanol 298.15 - 7.739 [412]
Ethanol 303.15 - 13.63 [412]
Ethanol 308.15 - 19.06 [412]
Ethanol 313.15 - 27.96 [412]

Molecule 3D descriptors

Descriptor Value
PMI1 1164.8923
PMI2 4377.3710
PMI3 4939.3643
NPR1 0.2358
NPR2 0.8862
RadiusOfGyration 3.6729
InertialShapeFactor 0.0008
Eccentricity 0.9718
Asphericity 0.4530
SpherocityIndex 0.2412
PBF 0.8771