(2S)-2-Amino-N-[(2S,3S,4R,5R)-5-[6-(Dimethylamino)Purine-1,3,7-Triium-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-3-(4-Hydroxyphenyl)Propanamide
Properties
Property | Value |
---|---|
Formula | C21H27N7O5 |
IUPAC Name | (2s)-2-amino-n-[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propanamide |
Molecular Mass | 457.483 g·mol−1 |
Heat of Formation | -568.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.23 ± 1.08 D |
Volume | 526.02 Å 3 |
Surface Area | 424.32 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | -0.34 ± eV |
Point Group Symmetry | C1 |
InChIKey | KBAVHXOVEMEWTD-YXDKPKCJSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |