9-(6-Deoxy-6,6-Difluoro-2-Thiohexofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C11H13F2N5O3S
IUPAC Name (2r,3r,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[(1s)-2,2-difluoro-1-hydroxy-ethyl]-4-sulfanyl-tetrahydrofuran-3-ol
Molecular Mass 333.314 g·mol−1
Heat of Formation -714.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 344.38 Å 3
Surface Area 300.38 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey PDQSVYDBRJLXCV-LRSGAZJOSA-N
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