5'-Deoxy-5'-({[2-(2-Hydroxyphenyl)Ethyl]Sulfonyl}Amino)Adenosine
Properties
Property | Value |
---|---|
Formula | C18H22N6O6S |
IUPAC Name | n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(2-hydroxyphenyl)ethanesulfonamide |
Molecular Mass | 450.469 g·mol−1 |
Heat of Formation | -742.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.63 ± 1.08 D |
Volume | 486.86 Å 3 |
Surface Area | 415.19 Å 2 |
HOMO Energy | -9.25 ± 0.55 eV |
LUMO Energy | -0.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | NIEGSPNRJDKALY-SCFUHWHPSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H S C O N |