(1S,2R,3R,4S,5R,6S)-2-(α-L-Allopyranosyloxy)-3,4,5-Trihydroxy-6-({6-O-[(1R)-1-Hydroxyhexadecyl]-Beta-L-Gulopyranosyl}Oxy)Cyclohexyl (2R)-2-{[(1S)-1-Hydroxyhexadecyl]Oxy}-3-{[(1S,10S)-1-Hydroxy-10-Methyloctadecyl]Oxy}Propyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C72H141O24P
IUPAC Name [(2r)-2-[(1s)-1-hydroxyhexadecoxy]-3-[(1s,10s)-1-hydroxy-10-methyl-octadecoxy]propyl] [(1s,2s,3r,4s,5r,6r)-3,4,5-trihydroxy-2-[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[[(1r)-1-hydroxyhexadecoxy]methyl]tetrahydropyran-2-yl]oxy-6-[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexyl] hydrogen phosphate
Molecular Mass 1421.849 g·mol−1
Heat of Formation -5856.1 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 1854.73 Å 3
Surface Area 1479.43 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey BAUIYLWUNSEMCF-OVJHHBNUSA-N
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