5'-S-[(3S)-1,8-Diamino-3-Octanyl]-5'-Thioadenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H31N7O3S
IUPAC Name (2s,3s,4r,5r)-2-[[(1r)-6-amino-1-(2-aminoethyl)hexyl]sulfanylmethyl]-5-(6-aminopurine-1,3,7-triium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 425.549 g·mol−1
Heat of Formation -374.1 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 513.21 Å 3
Surface Area 438.57 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey YETXSQDQSWLLJR-URQYDQELSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N