N-[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-2-(2-Hydroxyphenyl)Ethanesulfonamide
Properties
Property | Value |
---|---|
Formula | C18H24N6O6S |
IUPAC Name | n-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(2-hydroxyphenyl)ethanesulfonamide |
Molecular Mass | 452.485 g·mol−1 |
Heat of Formation | -719.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.70 ± 1.08 D |
Volume | 491.33 Å 3 |
Surface Area | 427.12 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | -0.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | YCRMXFXYLPWWGT-SCFUHWHPSA-O |
QR Code | Generate QR Code |
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Elements | H S C O N |