2,8-Diamino-9-{[(1,3-Dihydroxy-2-Propanyl)Oxy]Methyl}-3,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C9H14N6O4
IUPAC Name 2,8-diamino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 270.245 g·mol−1
Heat of Formation -436.1 ± 16.7 kJ·mol−1
Dipole Moment 12.51 ± 1.08 D
Volume 296.62 Å 3
Surface Area 267.04 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2,8-diamino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3h-purin-6-one
  • 2,8-diamino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3h-purin-6-one
  • 2,8-diamino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3h-purin-6-one
  • 6h-purin-6-one, 2,8-diamino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-
  • 8-amino-2'-nordeoxyguanosine
  • pd 116124
CAS Number(s)
  • 98695-80-8
InChIKey SYAUXCCCMBAREC-UHFFFAOYSA-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