1-O-(3,4-Dihydroxybenzoyl)-β-D-Xylopyranose

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Properties Simple | Detailed

Formula C12H14O8
IUPAC Name [(2s,3s,4r,5r)-3,4,5-trihydroxytetrahydropyran-2-yl] 3,4-dihydroxybenzoate
Molecular Mass 286.235 g·mol−1
Heat of Formation -1351.2 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 307.47 Å 3
Surface Area 274.47 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey VWQASRWQZBVNEI-SVDPJWKOSA-N
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Elements H C O