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

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Formula C10H13ClN2O7
IUPAC Name 5-chloro-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione
Molecular Mass 308.672 g·mol−1
Heat of Formation -1240.9 ± 16.7 kJ·mol−1
Dipole Moment 7.31 ± 1.08 D
Volume 318.25 Å 3
Surface Area 280.08 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey NONSBAHWXCNSII-XSEHCYKFSA-P
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Elements H C Cl O N