[(2R,3S,4R,5R)-5-(6-Amino-2H-Purin-9-Ium-2-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(3-Carbamoyl-2-Aza-1-Azonia-4-Azanidacyclopenta-2,5-Dien-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H24N9O11P
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2h-purin-9-ium-2-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(3-carbamoyl-2-aza-1-azonia-4-azanidacyclopenta-2,5-dien-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 573.411 g·mol−1
Heat of Formation -1800.8 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 591.85 Å 3
Surface Area 420.48 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey RZORYXQLHGUCGS-LCRFBQFRSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N