Adenosine 5′-monophosphate

Compound Structure

CAS Number: 61-19-8

Molecular Mass: 347.22 g/mol

Formula: C10H14N5O7P

Smiles: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetic acid 288.15 - 0.4788 [427]
Acetic acid 294.15 - 0.742 [427]
Acetic acid 300.15 - 1.118 [427]
Acetic acid 306.15 - 1.652 [427]
Acetic acid 312.15 - 2.347 [427]
Acetic acid 318.15 - 3.334 [427]
Acetic acid 324.15 - 4.402 [427]
Acetic acid 330.15 - 5.642 [427]
Ethanol 288.15 - 0.0317 [427]
Ethanol 294.15 - 0.03334 [427]
Ethanol 300.15 - 0.0398 [427]
Ethanol 306.15 - 0.0453 [427]
Ethanol 312.15 - 0.0538 [427]
Ethanol 318.15 - 0.0614 [427]
Ethanol 324.15 - 0.0714 [427]
Ethanol 330.15 - 0.08766 [427]
Methanol 288.15 - 0.0741 [427]
Methanol 294.15 - 0.0801 [427]
Methanol 300.15 - 0.0886 [427]
Methanol 306.15 - 0.0967 [427]
Methanol 312.15 - 0.1087 [427]
Methanol 318.15 - 0.1169 [427]
Methanol 324.15 - 0.1361 [427]
Methanol 330.15 - 0.1463 [427]
Water 288.2 - 4.964 [427]
Water 294.2 - 6.467 [427]
Water 300.2 - 7.915 [427]
Water 306.2 - 10.07 [427]
Water 312.2 - 12.13 [427]
Water 318.2 - 14.63 [427]
Water 324.2 - 17.74 [427]

Molecule 3D descriptors

Descriptor Value
PMI1 1787.2374
PMI2 2012.0249
PMI3 3221.7221
NPR1 0.5547
NPR2 0.6245
RadiusOfGyration 3.1796
InertialShapeFactor 0.0003
Eccentricity 0.8320
Asphericity 0.1449
SpherocityIndex 0.2923
PBF 0.8561