Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.

Nucleoside and nucleotide analogues

Organic compounds

Nucleosides, nucleotides, and analogues

Nucleoside and nucleotide analogues

Calculated Property

kind Value Source
logP -1.9 ALOGPS
logS -1.6 ALOGPS
Water Solubility 7.51e+00 g/l ALOGPS
logP -3.2 ChemAxon
IUPAC Name {[(2S,3R,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name pseudouridine-5′-monophosphate ChemAxon
Molecular Weight 324.1813 ChemAxon
Monoisotopic Weight 324.035866536 ChemAxon
SMILES O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O ChemAxon
Molecular Formula C9H13N2O9P ChemAxon
InChI InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6+,7-/m0/s1 ChemAxon
Polar Surface Area (PSA) 174.65 ChemAxon
Refractivity 63.31 ChemAxon
Polarizability 26.45 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 1.23 ChemAxon
pKa (strongest basic) -3.6 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon