[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Naphthalene-1-Carboxylate
Properties
Property | Value |
---|---|
Formula | C21H21N5O11P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] naphthalene-1-carboxylate |
Molecular Mass | 581.366 g·mol−1 |
Heat of Formation | -2157.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.31 ± 1.08 D |
Volume | 587.17 Å 3 |
Surface Area | 447.74 Å 2 |
HOMO Energy | -9.08 ± 0.55 eV |
LUMO Energy | -1.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | XNCSCDUZOHOJIP-WVSUBDOOSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |