4-Amino-1-(β-D-Glucopyranosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H15N3O6+
IUPAC Name 4-amino-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidin-2-one
Molecular Mass 273.243 g·mol−1
Heat of Formation -978.2 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 297.01 Å 3
Surface Area 263.17 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
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InChIKey YYUQXKHCNLFJNF-DDIGBBAMSA-N
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