Sodium cefotaxime

Compound Structure

CAS Number: 64485-93-4

Molecular Mass: 477.5 g/mol

Formula: C16H16N5NaO7S2

Smiles: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+]

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Dimethyl sulfoxide 293.15 - 535.6 [478]
Dimethyl sulfoxide 295.15 - 539.5 [478]
Dimethyl sulfoxide 297.15 - 544.0 [478]
Dimethyl sulfoxide 298.15 - 546.7 [478]
Dimethyl sulfoxide 300.15 - 557.3 [478]
Dimethyl sulfoxide 302.15 - 561.6 [478]
Dimethyl sulfoxide 303.15 - 563.1 [478]
Dimethyl sulfoxide 305.15 - 565.3 [478]
Dimethyl sulfoxide 307.15 - 565.9 [478]
Dimethyl sulfoxide 308.15 - 567.4 [478]
Dimethylformamide 278.15 - 267.2 [478]
Dimethylformamide 280.15 - 270.5 [478]
Dimethylformamide 283.15 - 285.5 [478]
Dimethylformamide 285.15 - 302.6 [478]
Dimethylformamide 288.15 - 310.2 [478]
Dimethylformamide 290.15 - 353.1 [478]
Dimethylformamide 293.15 - 374.4 [478]
Dimethylformamide 295.15 - 395.0 [478]
Dimethylformamide 298.15 - 437.4 [478]
Dimethylformamide 300.15 - 456.2 [478]
Dimethylformamide 303.15 - 502.2 [478]
Dimethylformamide 305.15 - 521.7 [478]
Dimethylformamide 308.15 - 563.4 [478]
Formamide 278.15 - 617.0 [478]
Formamide 280.15 - 641.9 [478]
Formamide 283.15 - 676.7 [478]
Formamide 285.15 - 719.4 [478]
Formamide 288.15 - 765.1 [478]
Formamide 290.15 - 789.2 [478]
Formamide 293.15 - 826.1 [478]
Formamide 295.15 - 836.1 [478]
Formamide 298.15 - 865.6 [478]
Formamide 300.15 - 882.0 [478]
Formamide 303.15 - 900.1 [478]
Formamide 305.15 - 922.0 [478]
Formamide 308.15 - 939.4 [478]
N-Methyl-2-pyrrolidone 278.15 - 1.28 [478]
N-Methyl-2-pyrrolidone 280.15 - 4.709 [478]
N-Methyl-2-pyrrolidone 283.15 - 7.655 [478]
N-Methyl-2-pyrrolidone 285.15 - 9.612 [478]
N-Methyl-2-pyrrolidone 288.15 - 13.97 [478]
N-Methyl-2-pyrrolidone 290.15 - 19.17 [478]
N-Methyl-2-pyrrolidone 293.15 - 26.22 [478]
N-Methyl-2-pyrrolidone 295.15 - 43.52 [478]
N-Methyl-2-pyrrolidone 298.15 - 59.15 [478]
N-Methyl-2-pyrrolidone 300.15 - 195.4 [478]
N-Methyl-2-pyrrolidone 303.15 - 392.4 [478]
N-Methyl-2-pyrrolidone 305.15 - 445.4 [478]
N-Methyl-2-pyrrolidone 308.15 - 563.7 [478]
Water 278.15 - 486.5 [478]
Water 280.15 - 488.4 [478]
Water 282.15 - 491.7 [478]
Water 283.15 - 494.1 [478]
Water 285.15 - 495.3 [478]
Water 287.15 - 496.3 [478]
Water 288.15 - 496.8 [478]
Water 290.15 - 500.1 [478]
Water 292.15 - 502.0 [478]
Water 293.15 - 505.8 [478]
Water 295.15 - 506.7 [478]
Water 297.15 - 507.9 [478]
Water 298.15 - 508.7 [478]

Molecule 3D descriptors

Descriptor Value
PMI1 2509.0152
PMI2 7528.8670
PMI3 9227.1640
NPR1 0.2719
NPR2 0.8159
RadiusOfGyration 4.4916
InertialShapeFactor 0.0003
Eccentricity 0.9623
Asphericity 0.3945
SpherocityIndex 0.1503
PBF 0.8813