[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2R)-2-Amino-6-(Butanoylamino)Hexanoate
Properties
Property | Value |
---|---|
Formula | C20H34N7O9P |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-(butanoylamino)hexanoate |
Molecular Mass | 547.499 g·mol−1 |
Heat of Formation | -1768.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.67 ± 1.08 D |
Volume | 612.34 Å 3 |
Surface Area | 543.56 Å 2 |
HOMO Energy | -9.31 ± 0.55 eV |
LUMO Energy | -0.89 ± eV |
Point Group Symmetry | C1 |
InChIKey | GBZRQUVINXDDFS-JCQVVMGJSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |