N-(4-Hydroxyphenyl)-2-Isopropyladenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C19H23N5O5
IUPAC Name (2r,3r,4s,5r)-2-[6-(4-hydroxyanilino)-2-isopropyl-purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 401.416 g·mol−1
Heat of Formation -596.1 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 459.93 Å 3
Surface Area 398.25 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[(4-hydroxyphenyl)amino]-2-isopropyl-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)amino]-2-isopropyl-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)amino]-2-isopropyl-purin-9-yl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)amino]-2-propan-2-yl-purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)amino]-2-propan-2-ylpurin-9-yl]oxolane-3,4-diol
  • 4-hpia
  • adenosine, n,6-didehydro-1,6-dihydro-n-(4-hydroxyphenyl)-1-(1-methylethyl)-
  • n-(4-hydroxyphenyl)-1-isopropyladenosine
  • n-(para-hydroxyphenyl)-1-isopropyladenosine
  • p-hydroxyphenylisopropyladenosine
CAS Number(s)
  • 84930-20-1
InChIKey HVNVJEQQXXZTMS-QEPJRFBGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N