9-[5-O-({[2-(6-Hydroxy-1,3-Benzothiazol-2-Yl)-1,3-Thiazol-4-Yl]Carbonyl}Sulfamoyl)-D-Ribofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C21H22N8O8S3
IUPAC Name 9-[5-o-({[2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)-d-ribofuranosyl]-9h-purin-6-amine
Molecular Mass 610.643 g·mol−1
Heat of Formation -725.5 ± 16.7 kJ·mol−1
Dipole Moment 9.32 ± 1.08 D
Volume 612.8 Å 3
Surface Area 514.49 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
InChIKey LJLYTUYNVSHXQB-SOONXTGKSA-N
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