Troxacitabine

Molecule SVG Image

Properties Simple | Detailed

Formula C8H11N3O4
IUPAC Name 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-3-ium-2-one
Molecular Mass 213.191 g·mol−1
Heat of Formation -590.7 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 228.08 Å 3
Surface Area 210.54 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-(2s,4s)-1-[2-hydroxymethyl)-1,3-dioxolan-4-yl]cytosine
  • (-)-l-.b.-dioxolanec
  • (-)-l-.beta.-dioxolane-cytosine
  • 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-pyrimidinone
  • 4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4s)-2-methylol-1,3-dioxolan-4-yl]pyrimidin-2-one
  • d06255
  • ltt
  • troxacitabine (usan)
InChIKey RXRGZNYSEHTMHC-BQBZGAKWSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N