(1S)-4-O-Acetyl-1,5-Anhydro-3,6-Dideoxy-3-(Dimethylnitroryl)-1-(1-Hydroxy-10,12-Dimethoxy-6-Oxo-8-Vinyl-6H-Dibenzo[C,H]Chromen-4-Yl)-D-Galactitol

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Properties Simple | Detailed

Formula C31H33NO10
IUPAC Name (2s,3s,4s,5s,6r)-5-acetoxy-3-hydroxy-2-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-naphtho[1,2-c]isochromen-4-yl)-n,n,6-trimethyl-tetrahydropyran-4-amine oxide
Molecular Mass 579.594 g·mol−1
Heat of Formation -1241.8 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 651.09 Å 3
Surface Area 503.03 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
InChIKey JDRNEUMZVBWRJJ-CXDINUQGSA-N
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