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 -1.6 ALOGPS
Water Solubility 8.61e+00 g/l ALOGPS
logP -2.9 ChemAxon
IUPAC Name 3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid ChemAxon
Traditional IUPAC Name orotidine-5′-monophosphate ChemAxon
Molecular Weight 368.1908 ChemAxon
Monoisotopic Weight 368.02569578 ChemAxon
SMILES O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O ChemAxon
Molecular Formula C10H13N2O11P ChemAxon
InChI InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7+,8+/m0/s1 ChemAxon
Polar Surface Area (PSA) 203.16 ChemAxon
Refractivity 70.74 ChemAxon
Polarizability 29.37 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 10 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 1.21 ChemAxon
pKa (strongest basic) -3.7 ChemAxon
Physiological Charge -3 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon