9-(5-S-Ethyl-5-Thio-D-Ribofuranosyl)-9H-Purin-6-Amine

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Formula C12H17N5O3S
IUPAC Name (2r,3r,4s,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-(ethylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 311.360 g·mol−1
Heat of Formation -309.9 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 347.63 Å 3
Surface Area 308.43 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
InChIKey HMXHURAGFHWODC-WOUKDFQISA-O
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