[(1S,2S,4S,5S)-4-[2-Iodo-6-(Methylamino)-9H-Purin-9-Yl]-2-(Phosphonooxy)Bicyclo[3.1.0]Hex-1-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18IN5O8P2
IUPAC Name [4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular Mass 561.163 g·mol−1
Heat of Formation -1689.5 ± 16.7 kJ·mol−1
Dipole Moment 9.40 ± 1.08 D
Volume 486.51 Å 3
Surface Area 390.14 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey NMVWLEUONAKGCD-IFVJFDFSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C I H O N P