9-{2-Deoxy-5-O-[Hydroxy(Methyl)Phosphoryl]-D-Erythro-Pent-1-Enofuranosyl}-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14N5O5P
IUPAC Name [(2r,3s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-2,3-dihydrofuran-2-yl]methoxy-methyl-phosphinic acid
Molecular Mass 327.233 g·mol−1
Heat of Formation -797.3 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 343.83 Å 3
Surface Area 303.21 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s)-5-(6-amino-9-purinyl)-3-hydroxy-2,3-dihydrofuran-2-yl]methoxy-methylphosphinic acid
  • [(2r,3s)-5-(6-aminopurin-9-yl)-3-hydroxy-2,3-dihydrofuran-2-yl]methoxy-methyl-phosphinic acid
  • [(2r,3s)-5-(6-aminopurin-9-yl)-3-hydroxy-2,3-dihydrofuran-2-yl]methoxy-methylphosphinic acid
  • acmpn
  • adenosine 3',5'-cyclic methylphosphonate
  • adenosine, cyclic 3',5'-(methylphosphonate)
CAS Number(s)
  • 117571-83-2
InChIKey RDHJPAYSVRFIMN-NKWVEPMBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N