N-{7-[(2,3-Di-O-Carbamoyl-6-Deoxy-5-Methyl-4-O-Methyl-β-D-Gulopyranosyl)Oxy]-4-Hydroxy-8-Methyl-2-Oxo-2H-Chromen-3-Yl}-4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Benzamide

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Properties Simple | Detailed

Formula C32H38N3O12+
IUPAC Name [(3r,4r,5r,6s)-5-carbamoyloxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] carbamate
Molecular Mass 656.657 g·mol−1
Heat of Formation -1981.8 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 736.17 Å 3
Surface Area 596.41 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey RUXZDJMEVSFRBO-OSSDZZHWSA-N
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