1-(3-O-Phosphono-Beta-L-Arabinofuranosyl)Pyrimidine-2,4(1h,3h)-Dione

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Glycosylamines

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Glycosyl compounds

Calculated Property

kind Value Source
logP -1.8 ALOGPS
logS -1.4 ALOGPS
Water Solubility 1.29e+01 g/l ALOGPS
logP -2.5 ChemAxon
IUPAC Name {[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid ChemAxon
Traditional IUPAC Name 3′-uridinemonophosphate ChemAxon
Molecular Weight 324.1813 ChemAxon
Monoisotopic Weight 324.035866536 ChemAxon
SMILES OC[C@@H]1O[C@H]([C@H](O)[C@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O ChemAxon
Molecular Formula C9H13N2O9P ChemAxon
InChI InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,8+/m0/s1 ChemAxon
InChIKey InChIKey=FOGRQMPFHUHIGU-VXUIKNBNSA-N ChemAxon
Polar Surface Area (PSA) 165.86 ChemAxon
Refractivity 63.44 ChemAxon
Polarizability 26.16 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 0.87 ChemAxon
pKa (strongest basic) -3 ChemAxon
Physiological Charge -2 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

  • Ribonuclease pancreatic : in Human