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 -1.7 ALOGPS
logS -1.4 ALOGPS
Water Solubility 1.12e+01 g/l ALOGPS
logP -2 ChemAxon
IUPAC Name {[(2S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 291.1977 ChemAxon
Monoisotopic Weight 291.062021707 ChemAxon
SMILES NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](COP(O)(O)=O)O1 ChemAxon
Molecular Formula C9H14N3O6P ChemAxon
InChI InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1 ChemAxon
Polar Surface Area (PSA) 134.68 ChemAxon
Refractivity 63.11 ChemAxon
Polarizability 25.25 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.34 ChemAxon
pKa (strongest basic) 0.011 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

  • Cytidylate kinase : in Escherichia coli (strain K12)