9-[(2S,4Ar,6R,7R,7Ar)-2-Hydroxy-7-Methoxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-8-(4-Chlorophenyl)Sulfanyl-Purine-1,3,7-Triium-6-Amine
Properties
Property | Value |
---|---|
Formula | C17H19ClN5O6PS |
IUPAC Name | 9-[(2s,4ar,6r,7r,7ar)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanyl-purine-1,3,7-triium-6-amine |
Molecular Mass | 487.854 g·mol−1 |
Heat of Formation | -918.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.29 ± 1.08 D |
Volume | 481.2 Å 3 |
Surface Area | 373.38 Å 2 |
HOMO Energy | -8.75 ± 0.55 eV |
LUMO Energy | -1.28 ± eV |
Point Group Symmetry | C1 |
InChIKey | GIUFVHJIIRVEQD-XNIJJKJLSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N P S |