(2S,3S,4R,5R)-3-[[(2S)-2-Amino-3-(4-Methoxyphenyl)Propanoyl]Amino]-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C20H23N7O6 |
IUPAC Name | (2s,3s,4r,5r)-3-[[(2s)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid |
Molecular Mass | 457.440 g·mol−1 |
Heat of Formation | -716.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.92 ± 1.08 D |
Volume | 512.58 Å 3 |
Surface Area | 402.01 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | -0.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | IKSIUCZHTXIJQI-JDZCFQESSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |