Vitamin C

Compound Structure

CAS Number: 50-81-7

Molecular Mass: 176.12 g/mol

Formula: C6H8O6

Smiles: O=C1O[C@H]([C@@H](O)CO)C(O)=C1O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetone 293.0 - 0.624 [102]
Acetone 298.0 - 0.762 [102]
Acetone 303.0 - 0.875 [102]
Acetone 308.0 - 1.01 [102]
Acetone 313.0 - 1.19 [102]
Acetone 318.0 - 1.34 [102]
Acetone 323.0 - 1.47 [102]
Acetonitrile 293.0 - 0.67 [102]
Acetonitrile 298.0 - 0.8 [102]
Acetonitrile 303.0 - 0.927 [102]
Acetonitrile 308.0 - 1.12 [102]
Acetonitrile 313.0 - 1.3 [102]
Acetonitrile 318.0 - 1.46 [102]
Acetonitrile 323.0 - 1.9 [102]
Ethanol 293.0 - 6.929 [102]
Ethanol 293.15 - 16.11 [101]
Ethanol 298.0 - 8.248 [102]
Ethanol 303.0 - 9.614 [102]
Ethanol 303.15 - 20.71 [101]
Ethanol 308.0 - 11.47 [102]
Ethanol 313.0 - 13.73 [102]
Ethanol 313.15 - 27.23 [101]
Ethanol 318.0 - 15.79 [102]
Ethanol 323.0 - 17.41 [102]
Ethanol 323.15 - 35.56 [101]
Ethyl acetate 293.0 - 0.18 [102]
Ethyl acetate 298.0 - 0.232 [102]
Ethyl acetate 303.0 - 0.302 [102]
Ethyl acetate 308.0 - 0.406 [102]
Ethyl acetate 313.0 - 0.53 [102]
Ethyl acetate 318.0 - 0.661 [102]
Ethyl acetate 323.0 - 0.829 [102]
Isopropanol 293.0 - 1.17 [102]
Isopropanol 293.15 - 5.122 [101]
Isopropanol 298.0 - 1.44 [102]
Isopropanol 303.0 - 1.78 [102]
Isopropanol 303.15 - 7.264 [101]
Isopropanol 308.0 - 2.3 [102]
Isopropanol 313.0 - 2.795 [102]
Isopropanol 313.15 - 10.31 [101]
Isopropanol 318.0 - 3.7 [102]
Isopropanol 323.0 - 4.572 [102]
Isopropanol 323.15 - 14.24 [101]
Methanol 293.0 - 44.19 [102]
Methanol 293.15 - 72.0 [101]
Methanol 298.0 - 47.33 [102]
Methanol 303.0 - 52.8 [102]
Methanol 303.15 - 87.9 [101]
Methanol 308.0 - 57.39 [102]
Methanol 313.0 - 65.16 [102]
Methanol 313.15 - 108.4 [101]
Methanol 318.0 - 71.91 [102]
Methanol 323.0 - 78.24 [102]
Methanol 323.15 - 130.2 [101]
Tetrahydrofuran 293.0 - 1.15 [102]
Tetrahydrofuran 298.0 - 1.44 [102]
Tetrahydrofuran 303.0 - 1.86 [102]
Tetrahydrofuran 308.0 - 2.236 [102]
Tetrahydrofuran 313.0 - 2.709 [102]
Tetrahydrofuran 318.0 - 3.219 [102]
Tetrahydrofuran 323.0 - 3.637 [102]
Water 280.15 - 198.9 [79]
Water 281.15 - 205.2 [79]
Water 283.15 - 215.1 [79]
Water 285.15 - 225.3 [79]
Water 289.15 - 257.8 [79]
Water 293.0 - 291.1 [102]
Water 293.15 - 271.3 [101]
Water 294.15 - 300.1 [79]
Water 298.0 - 333.1 [102]
Water 298.15 - 336.2 [79]
Water 302.15 - 388.8 [79]
Water 303.0 - 381.6 [102]
Water 303.15 - 372.9 [101]
Water 307.15 - 450.9 [79]
Water 308.0 - 443.9 [102]
Water 309.15 - 466.5 [79]
Water 312.15 - 507.0 [79]
Water 313.0 - 513.1 [102]
Water 313.15 - 490.2 [101]
Water 316.15 - 574.5 [79]
Water 317.15 - 579.8 [79]
Water 318.0 - 593.7 [102]
Water 318.15 - 601.0 [79]
Water 320.85 - 633.0 [79]
Water 321.65 - 659.8 [79]
Water 323.0 - 684.3 [102]
Water 323.15 - 686.6 [79]
Water 323.15 - 609.1 [101]
Water 323.55 - 697.2 [79]
Water 324.15 - 708.2 [79]
Water 325.65 - 764.3 [79]
Water 327.15 - 769.4 [79]
Water 327.25 - 787.5 [79]
Water 328.15 - 810.0 [79]
Water 333.15 - 853.8 [79]
Water 335.15 - 873.2 [79]
Water 338.15 - 930.7 [79]

Molecule 3D descriptors

Descriptor Value
PMI1 388.9508
PMI2 616.9875
PMI3 795.3467
NPR1 0.4890
NPR2 0.7757
RadiusOfGyration 2.2613
InertialShapeFactor 0.0020
Eccentricity 0.8723
Asphericity 0.1535
SpherocityIndex 0.4571
PBF 0.7838