N-(2-Hydroxybenzyl)Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H19N5O5
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 373.363 g·mol−1
Heat of Formation -551.5 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 414.66 Å 3
Surface Area 362.52 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[(2-hydroxybenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol
  • 6-(2-hydroxybenzylamino)-9-beta-d-ribofuranosylpurine
  • 6-hbarp
  • adenosine, n-((2-hydroxyphenyl)methyl)-
  • spathe regreening factor
CAS Number(s)
  • 50868-58-1
InChIKey URVCVGNFSZHAOA-LSCFUAHRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N