(2S)-1-{[3-O-(2-Acetamido-4-Amino-2,4,6-Trideoxy-β-D-Galactopyranosyl)-Alpha-D-Glucopyranosyl]Oxy}-3-(Heptanoyloxy)-2-Propanyl (7Z)-7-Pentadecenoate

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Formula C39H70N2O13
IUPAC Name [(1s)-1-[[(2s,3r,4s,5r,6r)-4-[(2s,3r,4s,5r,6r)-3-acetamido-5-amino-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-heptanoyloxy-ethyl] (z)-pentadec-7-enoate
Molecular Mass 774.979 g·mol−1
Heat of Formation -2774.7 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 1009.15 Å 3
Surface Area 775.99 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
InChIKey PANDRCFROUDETH-PVQRVOPISA-N
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