Cytarabine

Compound Structure

CAS Number: 147-94-4

Molecular Mass: 243.22 g/mol

Formula: C9H13N3O5

Smiles: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 293.15 - 1.17 [68]
Ethanol 298.15 - 1.2 [68]
Ethanol 303.15 - 1.485 [68]
Ethanol 308.15 - 2.09 [68]
Ethanol 313.15 - 3.02 [68]
Ethanol 318.15 - 5.113 [68]
Ethanol 323.15 - 9.856 [68]
Ethanol 328.15 - 18.06 [68]
Ethanol 333.15 - 38.89 [68]
Ethylene Glycol 293.15 - 1.53 [68]
Ethylene Glycol 298.15 - 2.96 [68]
Ethylene Glycol 303.15 - 7.165 [68]
Ethylene Glycol 308.15 - 14.87 [68]
Ethylene Glycol 313.15 - 28.05 [68]
Ethylene Glycol 318.15 - 43.02 [68]
Ethylene Glycol 323.15 - 61.64 [68]
Ethylene Glycol 328.15 - 89.4 [68]
Ethylene Glycol 333.15 - 137.4 [68]
Methanol 293.15 - 4.57 [68]
Methanol 298.15 - 6.693 [68]
Methanol 303.15 - 7.485 [68]
Methanol 308.15 - 9.51 [68]
Methanol 313.15 - 10.63 [68]
Methanol 318.15 - 12.3 [68]
Methanol 323.15 - 13.9 [68]
Methanol 328.15 - 15.74 [68]
Methanol 333.15 - 18.4 [68]
Water 293.15 - 109.8 [68]
Water 298.15 - 135.4 [68]
Water 303.15 - 188.0 [68]
Water 308.15 - 246.3 [68]
Water 313.15 - 289.4 [68]
Water 318.15 - 342.4 [68]
Water 323.15 - 413.7 [68]
Water 328.15 - 505.3 [68]
Water 333.15 - 587.5 [68]

Molecule 3D descriptors

Descriptor Value
PMI1 608.5778
PMI2 1731.6466
PMI3 1984.8484
NPR1 0.3066
NPR2 0.8724
RadiusOfGyration 2.9818
InertialShapeFactor 0.0014
Eccentricity 0.9518
Asphericity 0.3442
SpherocityIndex 0.2745
PBF 0.8272