(1S,2R,5R)-3-(Hydroxymethyl)-5-(6-Hydroxy-9H-Purin-9-Yl)Cyclopent-3-Ene-1,2-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H19N4O4+
IUPAC Name 9-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 271.293 g·mol−1
Heat of Formation -369.6 ± 16.7 kJ·mol−1
Dipole Moment 12.25 ± 1.08 D
Volume 283.74 Å 3
Surface Area 258.1 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 1,9-dihydro-9-(4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-, (1r-(1-alpha,4-beta,5-beta))-
  • 6h-purin-6-one, 9-[(1r,4r,5s)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-1,9-dihydro-
  • 9-[(1r,4r,5s)-4,5-dihydroxy-3-methylol-1-cyclopent-2-enyl]-3h-purin-6-one
  • neplanocin d
CAS Number(s)
  • 72877-47-5
InChIKey ZOGIBYIZRGKFQR-VDAHYXPESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N