BMRB

Biological Magnetic Resonance Data Bank


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

2,3-dideoxycytidine

2,3-dideoxycytidine synonyms

ddC; 2',3'-Dideoxycytidine

Wikipedia:

Graphical representations:

2,3-dideoxycytidine image

Molecular Formula: C9 H13 N3 O3

Natural Isotopic Abundance Mass: 211.21782

Mono-Isotopic Molecular Masses:

  • C12N14: 211.0956912992
  • C13N14: 220.1258848394
  • C12N15: 214.0867959788
  • C13N15: 223.116989519

InCHi String: InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1

canonical SMILES: C1CC(OC1CO)N2C=CC(=NC2=O)N

isomeric SMILES: C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N

PUBCHEM iupac NAME
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

PUBCHEM iupac TRADITIONAL NAME
4-amino-1-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]pyrimidin-2-one

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

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

PUBCHEM iupac SYSTEMATIC NAME
4-azanyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

PubChem Substance (SID):   111677845   24278377
PubChem Compound (CID):   24066
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich D5782_SIGMA   MMCD cq_04243   MDL MFCD00012188

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.