Diosmin

Compound Structure

CAS Number: 520-27-4

Molecular Mass: 608.5 g/mol

Formula: C28H32O15

Smiles: COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 298.15 - 0.02666 [33]
Ethanol 303.15 - 0.03899 [33]
Ethanol 313.15 - 0.06946 [33]
Ethanol 323.15 - 0.122 [33]
Ethanol 333.15 - 0.1953 [33]
Isopropanol 298.15 - 0.03124 [33]
Isopropanol 303.15 - 0.04421 [33]
Isopropanol 313.15 - 0.0691 [33]
Isopropanol 323.15 - 0.1215 [33]
Isopropanol 333.15 - 0.2098 [33]
Water 298.15 - 0.0421 [33]
Water 303.15 - 0.06289 [33]
Water 313.15 - 0.115 [33]
Water 323.15 - 0.2189 [33]
Water 333.15 - 0.3421 [33]

Molecule 3D descriptors

Descriptor Value
PMI1 3500.3408
PMI2 23283.0528
PMI3 25553.1264
NPR1 0.1370
NPR2 0.9112
RadiusOfGyration 6.5575
InertialShapeFactor 0.0003
Eccentricity 0.9906
Asphericity 0.6446
SpherocityIndex 0.0889
PBF 0.9875