(E)-2-[6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-8-Yl]Sulfanylethylidene-(2-Chloroacetyl)Ammonium
Properties
Property | Value |
---|---|
Formula | C14H19ClN6O8PS |
IUPAC Name | (e)-2-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-8-yl]sulfanylethylidene-(2-chloroacetyl)ammonium |
Molecular Mass | 497.828 g·mol−1 |
Heat of Formation | -1496.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.51 ± 1.08 D |
Volume | 488.14 Å 3 |
Surface Area | 389.8 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | -1.08 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZQAOZNIEEHRSGT-QPFBEWOZSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N P S |