1-(5′-Phospho-Beta-D-Ribofuranosyl)Barbituric Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.

Pyrimidine ribonucleoside monophosphates

Organic compounds

Nucleosides, nucleotides, and analogues

Pyrimidine nucleotides

Pyrimidine ribonucleotides

Calculated Property

kind Value Source
logP -1.7 ALOGPS
logS -1.3 ALOGPS
Water Solubility 1.69e+01 g/l ALOGPS
logP -3 ChemAxon
IUPAC Name {[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2S,3R,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 340.1807 ChemAxon
Monoisotopic Weight 340.030781158 ChemAxon
SMILES O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O ChemAxon
Molecular Formula C9H13N2O10P ChemAxon
InChI InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7+,8+/m0/s1 ChemAxon
InChIKey InChIKey=AODYJUNLDJOADV-YHSFNTFWSA-N ChemAxon
Polar Surface Area (PSA) 182.93 ChemAxon
Refractivity 63.44 ChemAxon
Polarizability 27.26 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 9 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 1.22 ChemAxon
pKa (strongest basic) -3.7 ChemAxon
Physiological Charge -3 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Orotidine 5′-phosphate decarboxylase : in Escherichia coli (strain K12)