Ethyl D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C8H14O7
IUPAC Name (2r,3s,4r,5r,6r)-6-ethoxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 222.193 g·mol−1
Heat of Formation -1322.3 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 243.49 Å 3
Surface Area 223.81 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
InChIKey IWJBVMJWSPZNJH-KYRVAOBLSA-N
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Elements H C O