N-[(2R,3R,4R,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenoxy)-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide

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Properties Simple | Detailed

Formula C20H28N2O13
IUPAC Name n-[(2r,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 504.442 g·mol−1
Heat of Formation -1980.7 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 562.22 Å 3
Surface Area 453.71 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey WSTCQCPIRYSDRO-UVFFFCKLSA-N
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