4-[2-(4-Benzyl-1-Piperidinyl)-1-Hydroxypropyl]Phenyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C27H35NO8
IUPAC Name (2s,3s,4s,5r,6s)-6-[4-[(1r,2s)-2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 501.569 g·mol−1
Heat of Formation -1277.1 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 591.46 Å 3
Surface Area 500.2 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey GXHMRNLUBONADM-HGRSNUCDSA-N
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