(2S)-2-[[2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethylsulfanyl]Acetyl]Amino]Pentanedioic Acid
Properties
Property | Value |
---|---|
Formula | C28H47N8O21P3S |
IUPAC Name | (2s)-2-[[2-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]acetyl]amino]pentanedioic acid |
Molecular Mass | 956.700 g·mol−1 |
Heat of Formation | -4615.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.85 ± 1.08 D |
Volume | 1007.93 Å 3 |
Surface Area | 817.36 Å 2 |
HOMO Energy | -9.14 ± 0.55 eV |
LUMO Energy | -1.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | CRTJQBDWXLZESX-NOTSHUFBSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S |