1-(β-D-Glucopyranosyl)-5-Iodo-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H13IN2O7
IUPAC Name 5-iodo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione
Molecular Mass 400.124 g·mol−1
Heat of Formation -1133.2 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 335.03 Å 3
Surface Area 293.15 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey NKQVRMXGIOZKRJ-XSEHCYKFSA-P
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