2-Amino-6-[[2-[4-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]-1-Piperidyl]Ethylamino]Methyl]-3H-Pteridine-1,5,8-Triium-4-One
Properties
Property | Value |
---|---|
Formula | C24H36N12O4S |
IUPAC Name | 2-amino-6-[[2-[4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]-1-piperidyl]ethylamino]methyl]-3h-pteridine-1,5,8-triium-4-one |
Molecular Mass | 588.686 g·mol−1 |
Heat of Formation | -152.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.08 ± 1.08 D |
Volume | 655.65 Å 3 |
Surface Area | 557.95 Å 2 |
HOMO Energy | -8.76 ± 0.55 eV |
LUMO Energy | 1.90 ± eV |
Point Group Symmetry | C1 |
InChIKey | YREHQKZYBKADBI-YMYXXHFHSA-P |
QR Code | Generate QR Code |
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Elements | H C S O N |