(2S)-4-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-(Carboxylatomethyl)Sulfonio]-2-Azaniumyl-Butanoate
Properties
Property | Value |
---|---|
Formula | C16H26N6O7S+ |
IUPAC Name | (2s)-4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-(carboxylatomethyl)sulfonio]-2-azaniumyl-butanoate |
Molecular Mass | 446.479 g·mol−1 |
Heat of Formation | -883.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.34 ± 1.08 D |
Volume | 480.37 Å 3 |
Surface Area | 402.89 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | -1.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | KJOJIZLWVBEIPZ-SBZSCLMQSA-P |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |