9-[(4Xi)-5-O-{[(2,3-Dihydroxybenzoyl)Azanidyl]Sulfonyl}-D-Erythro-Pentofuranosyl]-9H-Purin-6-Amine

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Formula C17H10N6O9S
IUPAC Name [(2z)-1-cyano-2-(cyanoamino)-2-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl]imino-ethyl]-methylidyne-ammonium; 2-(4-hydroxybut-3-ynyl)-3-[(2s)-2-oxidooxathiaziridin-2-ium-3-yl]prop-1-ene-1,3-dione
Molecular Mass 474.361 g·mol−1
Heat of Formation 1280.5 ± 16.7 kJ·mol−1
Dipole Moment 44.29 ± 1.08 D
Volume 499.94 Å 3
Surface Area 446.43 Å 2
HOMO Energy -5.42 ± 0.55 eV
LUMO Energy -4.71 ± eV
Point Group Symmetry C1
InChIKey OMTCCEVOVWMPRU-FPYUKIRHSA-M
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