2-Amino-8-Bromo-9-[(3Xi)-2-Deoxy-β-D-Glycero-Pentofuranosyl]-1,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H12BrN5O4
IUPAC Name 2-(15n)azanyl-8-bromo-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
Molecular Mass 349.118 g·mol−1
Heat of Formation 994.8 ± 16.7 kJ·mol−1
Dipole Moment 10.08 ± 1.08 D
Volume 281.13 Å 3
Surface Area 263.03 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -4.26 ± eV
Point Group Symmetry C1
InChIKey MKDXZFVCXWXGBQ-VPENINKCSA-P
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Elements C O Br N