[(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H22N5O11P
IUPAC Name [(2r,3s,4r,5s)-5-[(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 479.336 g·mol−1
Heat of Formation -2061.4 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 489.87 Å 3
Surface Area 374.99 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey YNMXPVJQZIOEAG-ZQSHOCFMSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N