S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3Lambda~5~,5Lambda~5~-Diphosphaheptadecan-17-Yl} 3-(Methylsulfanyl)Propanethioate (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C25H42N7O17P3S2 |
IUPAC Name | s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-methylsulfanylpropanethioate |
Molecular Mass | 869.689 g·mol−1 |
Heat of Formation | -778.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.55 ± 1.08 D |
Volume | 757.05 Å 3 |
Surface Area | 557.5 Å 2 |
HOMO Energy | -7.94 ± 0.55 eV |
LUMO Energy | -3.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | SIEFLYWJLBNLAM-CITAKDKDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C S O N |