5-Hydroxy-2-[(4-Hydroxy-7-Methoxy-2-Oxo-Chromen-3-Yl)Carbamoyl]-4-[(2R,4R,5S,6S)-5-Methoxy-4,6-Dimethyl-4-Nitro-Tetrahydropyran-2-Yl]Oxy-3H-Pyridin-1-Ium-3-Ide-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C25H26N3O13
IUPAC Name 5-hydroxy-2-[(4-hydroxy-7-methoxy-2-oxo-chromen-3-yl)carbamoyl]-4-[(2r,4r,5s,6s)-5-methoxy-4,6-dimethyl-4-nitro-tetrahydropyran-2-yl]oxy-3h-pyridin-1-ium-3-ide-6-carboxylic acid
Molecular Mass 576.486 g·mol−1
Heat of Formation -1690.0 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 608.34 Å 3
Surface Area 516.97 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
InChIKey KGRQJFRLIMVZKS-VMZBAHJXSA-O
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