[(2S,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-2,3-Di(Butanoyl)-4-Hydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Butanoate
Properties
Property | Value |
---|---|
Formula | C22H32N5O10P |
IUPAC Name | [(2s,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-2,3-di(butanoyl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] butanoate |
Molecular Mass | 557.491 g·mol−1 |
Heat of Formation | -1990.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.02 ± 1.08 D |
Volume | 615.0 Å 3 |
Surface Area | 465.69 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | -1.03 ± eV |
Point Group Symmetry | C1 |
InChIKey | OTPJNKMFMACZOA-YWWHGZKBSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |