[6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-8-Yl] Thiocyanate
Properties
Property | Value |
---|---|
Formula | C11H15N6O13P3S |
IUPAC Name | [6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]purine-1,3,7-triium-8-yl] thiocyanate |
Molecular Mass | 564.255 g·mol−1 |
Heat of Formation | -2886.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.36 ± 1.08 D |
Volume | 522.59 Å 3 |
Surface Area | 384.41 Å 2 |
HOMO Energy | -9.00 ± 0.55 eV |
LUMO Energy | -1.40 ± eV |
Point Group Symmetry | C1 |
InChIKey | KMIQDECMMZVKFX-KQYNXXCUSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S |