(E)-3-[[(2R)-4-[[[5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-2-Furyl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoyl-[2-(2,2-Dihydroxyethylsulfanyl)Ethylidene]Ammonium
Properties
Property | Value |
---|---|
Formula | C23H37N7O18P3S |
IUPAC Name | (e)-3-[[(2r)-4-[[[5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-2-furyl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoyl-[2-(2,2-dihydroxyethylsulfanyl)ethylidene]ammonium |
Molecular Mass | 824.562 g·mol−1 |
Heat of Formation | -3753.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.02 ± 1.08 D |
Volume | 841.67 Å 3 |
Surface Area | 696.24 Å 2 |
HOMO Energy | -8.31 ± 0.55 eV |
LUMO Energy | -1.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | JMDDPOZNHKSQIZ-QWNKOJSDSA-O |
QR Code | Generate QR Code |
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Elements | C H O N P S |