2-Amino-N-[2-[2-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfonyl]Ethylamino]-2-Oxo-Ethyl]-7,7-Dimethyl-4-Oxo-3,8-Dihydropteridine-1,5-Diium-6-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C23H30N12O8S
IUPAC Name 2-amino-n-[2-[2-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfonyl]ethylamino]-2-oxo-ethyl]-7,7-dimethyl-4-oxo-3,8-dihydropteridine-1,5-diium-6-carboxamide
Molecular Mass 634.625 g·mol−1
Heat of Formation -1019.4 ± 16.7 kJ·mol−1
Dipole Moment 11.38 ± 1.08 D
Volume 676.02 Å 3
Surface Area 571.31 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey SZROEWAUGXIYKX-GWKRVTOESA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N