4-Amino-1-[4-Amino-2,3,4-Trideoxy-β-D-(2,4-~2~H_2_)-Erythro-Hex-2-Enopyranuronosyl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H12N4O4
IUPAC Name (2r,3r,6s)-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 -497.4 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 277.66 Å 3
Surface Area 256.77 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey BCIARWGCSQRQRH-MHSYXAOVSA-N
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