(3R)-N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Propyl]-1,2,3,4-Tetrahydroisoquinoline-3-Carboxamide
Properties
Property | Value |
---|---|
Formula | C23H31N7O4S |
IUPAC Name | (3r)-n-[3-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Molecular Mass | 501.602 g·mol−1 |
Heat of Formation | -385.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.10 ± 1.08 D |
Volume | 572.97 Å 3 |
Surface Area | 495.98 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | 2.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | VOLKTRKHDRUYIS-AXKRAVOISA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |