2-[(2-Amino-6-Hydroxy-9H-Purin-9-Yl)Methoxy]Propane-1,3-Diyl Bis[Dihydrogen (Phosphate)]

Molecule SVG Image

Properties Simple | Detailed

Formula C9H15N5O10P2
IUPAC Name [2-[(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)methoxy]-3-phosphonooxy-propyl] dihydrogen phosphate
Molecular Mass 415.190 g·mol−1
Heat of Formation -2165.4 ± 16.7 kJ·mol−1
Dipole Moment 16.07 ± 1.08 D
Volume 406.48 Å 3
Surface Area 340.06 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-((2-(phosphonooxy)-1-((phosphonooxy)methyl)ethoxy)methyl)-
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-[[2-(phosphonooxy)-1-[(phosphonooxy)methyl]ethoxy]methyl]-
  • 9-(1,3-dihydroxy-2-propoxymethyl)-guanine-bis(monophosphate)
  • [2-[(2-amino-6-keto-3h-purin-9-yl)methoxy]-3-phosphonooxy-propyl] dihydrogen phosphate
  • [2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-3-phosphonooxy-propyl] dihydrogen phosphate
  • dpgbm
CAS Number(s)
  • 91516-84-6
InChIKey XKEDVXJHPVQCFB-UHFFFAOYSA-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