2'-Amino-2-Chloro-2'-Deoxyinosine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12ClN5O4
IUPAC Name 9-[(2r,3r,4s,5r)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-chloro-3h-purin-6-one
Molecular Mass 301.686 g·mol−1
Heat of Formation 470.7 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 292.83 Å 3
Surface Area 274.8 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-amino-2'deoxy-2-chloroinosine
  • 9-[(2r,3r,4s,5r)-3-amino-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-chloro-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-chloro-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-chloro-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3-amino-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-chloro-3h-purin-6-one
  • am-dx-chins
  • inosine, 2'-amino-2'-deoxy-2-chloro-
CAS Number(s)
  • 76727-51-0
InChIKey YCJHMUMFXXZXNK-DXTOWSMRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C N O Cl