2′-5’dideoxyuridine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring,which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Pyrimidones

Organic compounds

Organoheterocyclic compounds

Diazines

Pyrimidines and pyrimidine derivatives

Calculated Property

kind Value Source
logP -0.92 ALOGPS
logS -0.36 ALOGPS
Water Solubility 9.36e+01 g/l ALOGPS
logP -0.47 ChemAxon
IUPAC Name 1-[(2S,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon
Traditional IUPAC Name 2′-5’dideoxyuridine ChemAxon
Molecular Weight 212.2026 ChemAxon
Monoisotopic Weight 212.079706882 ChemAxon
SMILES C[C@H]1O[C@@H](C[C@@H]1O)N1C=CC(=O)NC1=O ChemAxon
Molecular Formula C9H12N2O4 ChemAxon
InChI InChI=1S/C9H12N2O4/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14/h2-3,5-6,8,12H,4H2,1H3,(H,10,13,14)/t5-,6+,8+/m1/s1 ChemAxon
InChIKey InChIKey=FDCFKLBIAIKUKB-CHKWXVPMSA-N ChemAxon
Polar Surface Area (PSA) 78.87 ChemAxon
Refractivity 49.51 ChemAxon
Polarizability 20.2 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.71 ChemAxon
pKa (strongest basic) -3.2 ChemAxon
Physiological Charge 0 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

  • Thymidylate synthase : in Escherichia coli (strain K12)