5'-S-[1-(2-{[(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Methyl]Amino}Ethyl)-4-Piperidinyl]-5'-Thioadenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C24H32N12O4S
IUPAC Name 2-amino-6-[[2-[4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]-1-piperidyl]ethylamino]methyl]-1h-pteridine-3,5,8-triium-4-one
Molecular Mass 584.654 g·mol−1
Heat of Formation -151.8 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 660.22 Å 3
Surface Area 530.43 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey KWIHONXLDHOYOZ-YMYXXHFHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N