9-(5-O-{[(4-Amino-2-Ammonio-4-Oxobutanoyl)Oxy](Hydroxy)Phosphoryl}Pentofuranosyl)-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C14H9N7O9P
IUPAC Name [cyano-[(1s)-3-cyano-7-hydroperoxy-2-[[(4r)-6-(3-isocyanato-1-azoniacyclopropa-1,3-dien-2-yl)-1,2,3,5,4-tetraoxaphosphinan-4-yl]oxy]-9-oxa-3-aza-5-azoniabicyclo[4.2.1]nona-4,5-dien-4-yl]methyl]-methylidyne-ammonium
Molecular Mass 450.237 g·mol−1
Heat of Formation 1087.6 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 425.16 Å 3
Surface Area 362.56 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey BZHVCXQAFQWXPZ-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O N