Chemical Properties of 9H-purine, 6-(methylthio)-9-beta-d-ribofuranosyl-, 5'-barium phosphate, hydrated

InChI

InChI=1S/C11H15N4O7PS.Ba.H2O/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20;;/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20);;1H2/q;+2;/p-2

InChI Key

UGJPKGHYDJZYKL-UHFFFAOYSA-L

Formula

C11H15BaN4O8PS

SMILES

CSc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O.O.[Ba+2]

Molecular Weight¹

531.63

• log₁₀WS : Log10 of Water solubility in mol/l.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 9H-purine, 6-(methylthio)-9-beta-d-ribofuranosyl-, 5'-barium phosphate, hydrated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• NIST Webbook

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