1-Methyl-9H-β-Carbolin-7-Yl D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C18H18N2O7
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(1-methylpyrido[3,4-b]indol-9-ium-7-yl)oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 374.345 g·mol−1
Heat of Formation -995.5 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 408.75 Å 3
Surface Area 363.43 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey CDBONOOLMKZYJF-RNGZQALNSA-N
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