1-(5-Amino-5-Deoxyhexofuranuronosyl)-5-(Hydroxymethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H15N3O8++
IUPAC Name (2s)-2-amino-2-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]acetic acid
Molecular Mass 317.252 g·mol−1
Heat of Formation -1397.6 ± 16.7 kJ·mol−1
Dipole Moment 7.97 ± 1.08 D
Volume 333.79 Å 3
Surface Area 279.37 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey TZQKKPBFBDTCRN-LHFUSRJQSA-N
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