2-Amino-9-[(1R,2R,3S,4R)-2,3-Dihydroxy-4-(Hydroxymethyl)Cyclopentyl]-3,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15N5O4
IUPAC Name 2-amino-9-[(1r,2r,3s,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3h-purin-6-one
Molecular Mass 281.268 g·mol−1
Heat of Formation -466.2 ± 16.7 kJ·mol−1
Dipole Moment 13.18 ± 1.08 D
Volume 304.35 Å 3
Surface Area 265.76 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
Synonyms
  • (1alpha,2alpha,3alpha,4alpha)-(+-)-2-amino-9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-1,9-dihydro-6h-purin-6-one
  • 125073-26-9 (1s,2s,3r,4s)
  • 2-addhp
  • 2-amino-1,9-dihydro-9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-6h-purin-6-one
  • 2-amino-9-[(1r,2r,3s,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3h-purin-6-one
  • 2-amino-9-[(1r,2r,3s,4r)-2,3-dihydroxy-4-methylol-cyclopentyl]-3h-purin-6-one
  • 2-nh2-9-(dioh-4-ohch2cypent)-p-6-one
  • 6h-purin-6-one, 2-amino-9-(2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)-1,9-dihydro-, (1alpha,2alpha,3alpha,4alpha)-(+-)-
  • 6h-purin-6-one, 2-amino-9-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.)-, rel-(1s,2s,3r,4s)
CAS Number(s)
  • 125073-26-9
InChIKey KIDOTSCXAILVGR-HXOWADHMSA-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