4-Nitrophenyl 2-Acetamido-2-Deoxy-3-O-β-D-Galactopyranosyl-Alpha-D-Galactopyranoside

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Properties Simple | Detailed

Formula C20H28N2O13
IUPAC Name n-[(2r,3r,4s,5r,6s)-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[(2r,3s,4s,5s,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 -1911.1 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 552.18 Å 3
Surface Area 439.86 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey INMOOBMAIAWVBW-YJXYCBSPSA-N
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