Adenosine, 5'-O-[Hydroxy[[Hydroxy[(3R)-3-Hydroxy-4-[[3-[[2-[[(3S)-3-Hydroxy-1-Oxodecyl]Thio]Ethyl]Amino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutoxy]Phosphinyl]Oxy]Phosphinyl]-, 3'-(Dihydrogen Phosphate), Ion(4-)

Molecule SVG Image

Properties Simple | Detailed

Formula C31H50N7O18P3S----
IUPAC Name [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-(3-hydroxydecanoylsulfanyl)ethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphate
Molecular Mass 933.751 g·mol−1
Heat of Formation -732.2 ± 16.7 kJ·mol−1
Dipole Moment 16.88 ± 1.08 D
Volume 797.21 Å 3
Surface Area 607.58 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -3.26 ± eV
Point Group Symmetry C1
InChIKey HIVSMYZAMUNFKZ-PNPVFPMQSA-J
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C S O N