(2R,3R,4S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-2-Azido-4-Fluoro-2-(Hydroxymethyl)Tetrahydro-3-Furanyl Methyl 7,7'-Dimethoxy-4,4'-Bi-1,3-Benzodioxole-5,5'-Dicarboxylate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C28H26FN6O13+
IUPAC Name methyl 4-[5-[(2r,3r,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxycarbonyl-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
Molecular Mass 673.537 g·mol−1
Heat of Formation -1635.5 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 694.02 Å 3
Surface Area 507.39 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey QSITVDTVKMJTAB-ZGQHXOITSA-N
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