(2R,3R,4S,5R)-2-[6-Amino-8-(Quinolin-1-Ium-4A-Id-2-Ylmethylamino)Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
Property | Value |
---|---|
Formula | C20H23N7O4 |
IUPAC Name | (2r,3r,4s,5r)-2-[6-amino-8-(quinolin-1-ium-4a-id-2-ylmethylamino)purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 425.441 g·mol−1 |
Heat of Formation | -275.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.40 ± 1.08 D |
Volume | 468.5 Å 3 |
Surface Area | 382.82 Å 2 |
HOMO Energy | -8.59 ± 0.55 eV |
LUMO Energy | -0.99 ± eV |
Point Group Symmetry | C1 |
InChIKey | DMAGVLMMUORKLN-NVQRDWNXSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |