9-[5-O-(Hydroxy{[5-(2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl)Pentanoyl]Oxy}Phosphoryl)Pentofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C20H28N7O9PS
IUPAC Name 9-[5-o-(hydroxy{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]oxy}phosphoryl)pentofuranosyl]-9h-purin-6-amine
Molecular Mass 573.517 g·mol−1
Heat of Formation 656.4 ± 16.7 kJ·mol−1
Dipole Moment 18.08 ± 1.08 D
Volume 559.95 Å 3
Surface Area 422.38 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy -3.47 ± eV
Point Group Symmetry C1
InChIKey UTQCSTJVMLODHM-ZOJJMKQISA-M
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