2-Amino-4-[{[5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}(Ethyl)Sulfonio]Butanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H24N6O5S
IUPAC Name (2r)-2-amino-4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-ethyl-sulfonio]butanoate
Molecular Mass 412.464 g·mol−1
Heat of Formation 1257.9 ± 16.7 kJ·mol−1
Dipole Moment 12.54 ± 1.08 D
Volume 418.55 Å 3
Surface Area 373.61 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -2.57 ± eV
Point Group Symmetry C1
InChIKey UBQZUBPODLPCFG-XIFWJBDBSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements S C O N