5'-O-[{[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Oxy}(Hydroxy)Phosphoryl]-3'-Deoxy-3'-{[(O-~18~O)Thiophosphonooxy]Methyl}Adenosine
Properties
Property | Value |
---|---|
Formula | C20H26N10O12P2S |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl] [(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[hydroxy(oxidanyl)(18o)phosphinothioyl]oxymethyl]tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 694.493 g·mol−1 |
Heat of Formation | 87.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.12 ± 1.08 D |
Volume | 632.55 Å 3 |
Surface Area | 458.0 Å 2 |
HOMO Energy | -9.10 ± 0.55 eV |
LUMO Energy | -3.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | LJADMJKFDOROPG-NNJHUUCCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P S C O N |