2'-Deoxy-5-(Hydroxymethyl)Cytidine 5'-(Dihydrogen Phosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C10H16N3O8P
IUPAC Name [(2r,3s,5r)-5-[4-amino-5-(hydroxymethyl)-2-oxo-pyrimidin-3-ium-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 337.223 g·mol−1
Heat of Formation -1680.3 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 348.29 Å 3
Surface Area 302.05 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5-hydroxymethylcytidine 5'-phosphate
  • 2'-deoxy-5-hydroxymethylcytidine-5'-phosphate
  • 2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-(hydroxymethyl)-
  • 5'-cytidylic acid, 2'-deoxy-5-(hydroxymethyl)-
  • 5-hmdcyt
  • 5-hydroxymethyl dcmp
  • 5-hydroxymethylcytosine deoxyribonucleotide
  • 5-hydroxymethyldeoxycytidylate
  • 5-hydroxymethyldeoxycytidylic acid
  • [(2r,3s,5r)-5-(4-amino-2-keto-5-methylol-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[4-amino-5-(hydroxymethyl)-2-oxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[4-amino-5-(hydroxymethyl)-2-oxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[4-amino-5-(hydroxymethyl)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • cytidine, 2'-deoxy-5-(hydroxymethyl)-, 5'-(dihydrogen phosphate)
CAS Number(s)
  • 13009-95-5
InChIKey BTIWPBKNTZFNRI-XLPZGREQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N