4-Amino-1-(4-Amino-2,3,4-Trideoxyhex-2-Enopyranuronosyl)-2(1H)-Pyrimidinone

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Formula C10H12N4O4
IUPAC Name (2s,3s,6r)-3-amino-6-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
Molecular Mass 252.227 g·mol−1
Heat of Formation -500.3 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 278.86 Å 3
Surface Area 257.72 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey BCIARWGCSQRQRH-ARDNSNSESA-O
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