S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] (E)-3-Methylsulfanylprop-2-Enethioate
Properties
Property | Value |
---|---|
Formula | C25H42N7O17P3S2 |
IUPAC Name | s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-methylsulfanylprop-2-enethioate |
Molecular Mass | 869.689 g·mol−1 |
Heat of Formation | -3770.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.04 ± 1.08 D |
Volume | 904.42 Å 3 |
Surface Area | 730.28 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | -1.12 ± eV |
Point Group Symmetry | C1 |
InChIKey | JKSBCXCWTCPBIC-CABWFRLRSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |