[(3S,4S,5R,6R)-5-[(2R,3R,4S,5S,6R)-6-(Dihydroxymethyl)-5-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5S,6S)-6-(Dihydroxymethyl)-5-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,6S)-3,4-Dimethoxy-6-(Methoxymethyl)Tetrahydropyran-2-Yl]Oxy-3,4-Dimethoxy-6-(Methoxymethyl)Tetrahydropyran-2-Yl]Oxy-3,4-Dimethoxy-6-(Sulfooxymethyl)Tetrahydropyran-2-Yl]Oxy-3,4-Dimethoxy-Tetrahydropyran-2-Yl]Oxy-3,4-Disulfooxy-6-(Sulfooxymethyl)Tetrahydropyran-2-Yl]Oxy-3,4-Dimethoxy-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-(Sulfooxymethyl)Tetrahydropyran-3-Yl] Hydrogen Sulfate

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Properties Simple | Detailed

Formula C55H98O54S6
IUPAC Name [(3s,4s,5r,6r)-5-[(2r,3r,4s,5s,6r)-6-(dihydroxymethyl)-5-[(2r,3r,4s,5r,6r)-5-[(2r,3r,4s,5s,6s)-6-(dihydroxymethyl)-5-[(2r,3r,4s,5r,6r)-5-[(2s,3r,4s,5r,6r)-5-[(2s,3r,4s,6s)-3,4-dimethoxy-6-(methoxymethyl)tetrahydropyran-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)tetrahydropyran-2-yl]oxy-3,4-dimethoxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-3,4-dimethoxy-tetrahydropyran-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-3,4-dimethoxy-tetrahydropyran-2-yl]oxy-4-methoxy-6-(sulfooxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
Molecular Mass 1815.724 g·mol−1
Heat of Formation -9582.5 ± 16.7 kJ·mol−1
Dipole Moment 9.93 ± 1.08 D
Volume 1928.91 Å 3
Surface Area 1197.68 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey QNKPWFIPDVKGET-YTXUCJBDSA-N
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