Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking a hydroxyl group at one or more positions.

Pyrimidine deoxyribonucleotides

Organic compounds

Nucleosides, nucleotides, and analogues

Pyrimidine nucleotides

Pyrimidine deoxyribonucleotides

Calculated Property

kind Value Source
logP -1.1 ALOGPS
logS -1.7 ALOGPS
Water Solubility 6.52e+00 g/l ALOGPS
logP -0.53 ChemAxon
IUPAC Name {[(2S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 306.2091 ChemAxon
Monoisotopic Weight 306.061687356 ChemAxon
SMILES CC1=CN([C@H]2CC[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O ChemAxon
Molecular Formula C10H15N2O7P ChemAxon
InChI InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1 ChemAxon
Polar Surface Area (PSA) 125.4 ChemAxon
Refractivity 65.49 ChemAxon
Polarizability 26.7 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.31 ChemAxon
pKa (strongest basic) -4.2 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

  • Thymidylate kinase : in Human