Mycophenolate mofetil

Compound Structure

CAS Number: 128794-94-5

Molecular Mass: 433.5 g/mol

Formula: C23H31NO7

Smiles: COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 298.2 - 51.45 [217]
1-Butanol 303.2 - 56.49 [217]
1-Butanol 308.2 - 62.44 [217]
1-Butanol 313.2 - 67.88 [217]
1-Butanol 318.2 - 74.7 [217]
Diethylene Glycol Monoethyl Ether 298.2 - 129.9 [217]
Diethylene Glycol Monoethyl Ether 303.2 - 139.0 [217]
Diethylene Glycol Monoethyl Ether 308.2 - 149.0 [217]
Diethylene Glycol Monoethyl Ether 313.2 - 160.0 [217]
Diethylene Glycol Monoethyl Ether 318.2 - 171.7 [217]
Dimethyl sulfoxide 293.15 - 103.3 [218]
Dimethyl sulfoxide 298.15 - 132.6 [218]
Dimethyl sulfoxide 298.2 - 143.0 [217]
Dimethyl sulfoxide 303.15 - 163.2 [218]
Dimethyl sulfoxide 303.2 - 169.2 [217]
Dimethyl sulfoxide 308.15 - 200.4 [218]
Dimethyl sulfoxide 308.2 - 204.2 [217]
Dimethyl sulfoxide 313.15 - 242.6 [218]
Dimethyl sulfoxide 313.2 - 242.0 [217]
Dimethyl sulfoxide 318.15 - 287.6 [218]
Dimethyl sulfoxide 318.2 - 274.0 [217]
Ethanol 278.15 - 26.68 [218]
Ethanol 283.15 - 29.73 [218]
Ethanol 288.15 - 33.68 [218]
Ethanol 293.15 - 38.14 [218]
Ethanol 298.15 - 43.22 [218]
Ethanol 298.2 - 45.57 [217]
Ethanol 303.15 - 48.73 [218]
Ethanol 303.2 - 50.0 [217]
Ethanol 308.15 - 55.1 [218]
Ethanol 308.2 - 55.13 [217]
Ethanol 313.15 - 62.1 [218]
Ethanol 313.2 - 61.02 [217]
Ethanol 318.15 - 69.25 [218]
Ethanol 318.2 - 66.04 [217]
Ethyl acetate 298.2 - 325.6 [217]
Ethyl acetate 303.2 - 351.2 [217]
Ethyl acetate 308.2 - 378.4 [217]
Ethyl acetate 313.2 - 403.4 [217]
Ethyl acetate 318.2 - 437.7 [217]
Ethylene Glycol 298.2 - 5.545 [217]
Ethylene Glycol 303.2 - 6.634 [217]
Ethylene Glycol 308.2 - 7.94 [217]
Ethylene Glycol 313.2 - 9.22 [217]
Ethylene Glycol 318.2 - 10.7 [217]
Isopropanol 278.15 - 31.14 [218]
Isopropanol 283.15 - 34.11 [218]
Isopropanol 288.15 - 38.07 [218]
Isopropanol 293.15 - 41.81 [218]
Isopropanol 298.15 - 46.65 [218]
Isopropanol 298.2 - 48.42 [217]
Isopropanol 303.15 - 51.44 [218]
Isopropanol 303.2 - 52.83 [217]
Isopropanol 308.15 - 56.2 [218]
Isopropanol 308.2 - 57.42 [217]
Isopropanol 313.15 - 61.69 [218]
Isopropanol 313.2 - 62.19 [217]
Isopropanol 318.15 - 67.59 [218]
Isopropanol 318.2 - 67.48 [217]
Propylene Glycol 278.15 - 2.085 [218]
Propylene Glycol 283.15 - 2.89 [218]
Propylene Glycol 288.15 - 3.755 [218]
Propylene Glycol 293.15 - 4.789 [218]
Propylene Glycol 298.15 - 5.896 [218]
Propylene Glycol 298.2 - 6.185 [217]
Propylene Glycol 303.15 - 7.19 [218]
Propylene Glycol 303.2 - 7.397 [217]
Propylene Glycol 308.15 - 8.49 [218]
Propylene Glycol 308.2 - 8.6 [217]
Propylene Glycol 313.15 - 10.04 [218]
Propylene Glycol 313.2 - 9.796 [217]
Propylene Glycol 318.15 - 11.59 [218]
Propylene Glycol 318.2 - 11.22 [217]
Water 278.15 - 0.0063 [218]
Water 283.15 - 0.01 [218]
Water 288.15 - 0.0159 [218]
Water 293.15 - 0.02522 [218]
Water 298.15 - 0.0372 [218]
Water 298.2 - 0.04194 [217]
Water 303.15 - 0.0507 [218]
Water 303.2 - 0.05476 [217]
Water 308.15 - 0.068 [218]
Water 308.2 - 0.06849 [217]
Water 313.15 - 0.088 [218]
Water 313.2 - 0.0831 [217]
Water 318.15 - 0.1074 [218]
Water 318.2 - 0.09884 [217]

Molecule 3D descriptors

Descriptor Value
PMI1 1491.2778
PMI2 14351.3853
PMI3 14569.1373
NPR1 0.1024
NPR2 0.9851
RadiusOfGyration 5.9226
InertialShapeFactor 0.0007
Eccentricity 0.9947
Asphericity 0.7276
SpherocityIndex 0.1789
PBF 1.2024