Trisodium citrate

Compound Structure

CAS Number: 68-04-2

Molecular Mass: 258.07 g/mol

Formula: C6H5Na3O7

Smiles: O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Water 293.2 - 646.5 [462]
Water 298.2 - 657.6 [462]
Water 303.2 - 692.4 [462]
Water 308.2 - 740.0 [462]
Water 313.2 - 785.1 [462]

Molecule 3D descriptors

Descriptor Value
PMI1 533.7895
PMI2 833.0363
PMI3 1042.5542
NPR1 0.5120
NPR2 0.7990
RadiusOfGyration 2.1606
InertialShapeFactor 0.0015
Eccentricity 0.8590
Asphericity 0.1352
SpherocityIndex 0.5534
PBF 0.7264