9-(5-S-Methyl-5-Thio-β-D-Xylofuranosyl)-9H-Purin-6-Amine
Properties
Property | Value |
---|---|
Formula | C11H15N5O3S |
IUPAC Name | (2r,3s,4s,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 297.333 g·mol−1 |
Heat of Formation | -291.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.37 ± 1.08 D |
Volume | 327.81 Å 3 |
Surface Area | 283.33 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | 2.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | WUUGFSXJNOTRMR-ICQCTTRCSA-O |
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Links | ChemSpider |
DOI | |
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Elements | H S C O N |