3-(4-Methyl-9H-β-Carbolin-1-Yl)-3-Oxopropyl 6-Deoxy-Alpha-L-Mannopyranoside

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Properties Simple | Detailed

Formula C21H24N2O6
IUPAC Name 1-(4-methylpyrido[3,4-b]indol-9-ium-1-yl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-propan-1-one
Molecular Mass 400.425 g·mol−1
Heat of Formation -906.1 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 452.34 Å 3
Surface Area 391.3 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey FSOBSGJDWJWABF-BEYZVDNXSA-N
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