2′-Deoxycytidine-5′-Monophosphate

Status : experimental

Description

Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions. [PubChem]

Chemical Classification

This compound belongs to the class of organic compounds known as pyrimidine 2′-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.

Pyrimidine 2′-deoxyribonucleosides

Organic compounds

Nucleosides, nucleotides, and analogues

Pyrimidine nucleosides

Pyrimidine 2′-deoxyribonucleosides

Calculated Property

kind Value Source
logP -2.1 ALOGPS
logS -1.4 ALOGPS
Water Solubility 1.09e+01 g/l ALOGPS
logP -2.6 ChemAxon
IUPAC Name {[(2S,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 307.1971 ChemAxon
Monoisotopic Weight 307.056936329 ChemAxon
SMILES NC1=NC(=O)N(C=C1)[C@H]1C[C@@H](O)[C@H](COP(O)(O)=O)O1 ChemAxon
Molecular Formula C9H14N3O7P ChemAxon
InChI InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8-/m1/s1 ChemAxon
InChIKey InChIKey=NCMVOABPESMRCP-GKROBHDKSA-N ChemAxon
Polar Surface Area (PSA) 154.91 ChemAxon
Refractivity 63.91 ChemAxon
Polarizability 26.2 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 1.26 ChemAxon
pKa (strongest basic) -0.12 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

  • Deoxycytidylate 5-hydroxymethyltransferase : in Enterobacteria phage T4
  • Thymidylate synthase : in Lactobacillus casei