Clindamycin phosphate

Compound Structure

CAS Number: 24729-96-2

Molecular Mass: 505.0 g/mol

Formula: C18H34ClN2O8PS

Smiles: CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Dimethyl sulfoxide 298.15 - 2.989 [416]
Dimethyl sulfoxide 303.15 - 3.66 [416]
Dimethyl sulfoxide 308.15 - 4.929 [416]
Dimethyl sulfoxide 313.15 - 6.241 [416]
Dimethyl sulfoxide 318.15 - 8.33 [416]
Dimethyl sulfoxide 323.15 - 10.44 [416]
Dimethyl sulfoxide 328.15 - 14.97 [416]
Dimethyl sulfoxide 333.15 - 19.65 [416]
Ethanol 278.15 - 0.053 [415]
Ethanol 283.15 - 0.79 [415]
Ethanol 283.15 - 0.06636 [416]
Ethanol 288.15 - 0.78 [415]
Ethanol 288.15 - 0.07331 [416]
Ethanol 293.15 - 0.952 [415]
Ethanol 293.15 - 0.08742 [416]
Ethanol 298.15 - 1.21 [415]
Ethanol 298.15 - 0.1085 [416]
Ethanol 303.15 - 2.05 [415]
Ethanol 303.15 - 0.119 [416]
Ethanol 308.15 - 2.64 [415]
Ethanol 308.15 - 0.1328 [416]
Ethanol 313.15 - 2.88 [415]
Ethanol 313.15 - 0.149 [416]
Ethanol 318.15 - 3.54 [415]
Ethanol 318.15 - 0.16 [416]
Ethanol 323.15 - 3.77 [415]
Ethanol 328.15 - 3.91 [415]
Ethanol 333.15 - 4.63 [415]
Ethanol 338.15 - 6.09 [415]
Ethanol 343.15 - 9.167 [415]
Methanol 286.15 - 4.238 [416]
Methanol 291.15 - 4.488 [416]
Methanol 296.15 - 4.896 [416]
Methanol 301.15 - 5.448 [416]
Methanol 306.15 - 6.03 [416]
Methanol 311.15 - 6.604 [416]
Methanol 316.15 - 7.17 [416]
Methanol 321.15 - 7.813 [416]
Water 278.15 - 5990.6 [415]
Water 283.15 - 6145.7 [415]
Water 288.15 - 6395.0 [415]
Water 293.15 - 6976.7 [415]
Water 298.15 - 7115.4 [415]
Water 303.15 - 7393.3 [415]
Water 308.15 - 7706.5 [415]
Water 313.15 - 7976.2 [415]
Water 318.15 - 8191.8 [415]
Water 323.15 - 8356.0 [415]
Water 328.15 - 8485.6 [415]
Water 333.15 - 8737.5 [415]
Water 338.15 - 9253.9 [415]
Water 343.15 - 1.133 × 10⁴ [415]

Molecule 3D descriptors

Descriptor Value
PMI1 2685.4506
PMI2 8628.5545
PMI3 10386.4397
NPR1 0.2586
NPR2 0.8308
RadiusOfGyration 4.6354
InertialShapeFactor 0.0003
Eccentricity 0.9660
Asphericity 0.4150
SpherocityIndex 0.1987
PBF 1.0590