BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

2'-Deoxycytidine

2'-Deoxycytidine bmse000323 - Data

2'-Deoxycytidine synonyms

Cytosine deoxyribonucleoside; Cytidine, 2'-deoxy-, monohydrochloride (8CI 9CI); Cytidine, 2'-deoxy-; Cytosine deoxy nucleoside hydrochloride; Cytosine deoxyriboside

Wikipedia:

Graphical representations:

2'-Deoxycytidine image

Molecular Formula: C9 H13 N3 O4

Natural Isotopic Abundance Mass: 227.21722

Mono-Isotopic Molecular Masses:

  • C12N14: 227.0906059213
  • C13N14: 236.1207994615
  • C12N15: 230.0817106009
  • C13N15: 239.1119041411

InCHi String: InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)

canonical and isomeric SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)CO)O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

PUBCHEM iupac TRADITIONAL NAME
4-amino-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidin-2-one

PUBCHEM iupac OPENEYE NAME
4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

PUBCHEM iupac CAS NAME
4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone

PubChem Substance (SID):   85165123   5864864   551832
PubChem Compound (CID):   637
KEGG: Compound ID   n/a
CAS Registry IDs:   3992-42-5
PDB Chemical Component   DCZ   LDC
Miscellaneous Databases and IDs:   ChemSpider 11573333   NIST 1482023169   DTP/NCI 83251   Sigma-Aldrich D3897_SIGMA   ChemDB 5074555

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.