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 C21H18N8O8S3
IUPAC Name [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl n-[2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carbonyl]sulfamate
Molecular Mass 606.611 g·mol−1
Heat of Formation 1140.1 ± 16.7 kJ·mol−1
Dipole Moment 8.74 ± 1.08 D
Volume 587.11 Å 3
Surface Area 489.49 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -2.97 ± eV
Point Group Symmetry C1
InChIKey LJLYTUYNVSHXQB-SOONXTGKSA-N
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