2'-Deoxy-7-(3,3,3-Trichloro-2-Hydroxypropyl)-7-Hydroguanosine

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Properties Simple | Detailed

Formula C13H17Cl3N5O5+
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-[(2s)-3,3,3-trichloro-2-hydroxy-propyl]-3h-purin-9-ium-6-one
Molecular Mass 429.664 g·mol−1
Heat of Formation 1058.6 ± 16.7 kJ·mol−1
Dipole Moment 15.43 ± 1.08 D
Volume 383.06 Å 3
Surface Area 330.84 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -4.46 ± eV
Point Group Symmetry C1
InChIKey NLOJBBJLQMQLLJ-FKSUSPILSA-O
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Elements C N O Cl