(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(3S,4S,5R,6S)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-6-{(2S)-2-[(2R,3S,4R,5R)-5-(2,4-Dioxotetrahydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]-2-Hydroxyethyl}-4,5-Dihydroxytetrahydro-2H-Pyran-3-Yl]-5-Methyl-2-Hexenamide

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Formula C30H48N4O16
IUPAC Name (e)-n-[(2s,3r,4r,5r,6r)-2-[(2s,3s,4s,5r,6s)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(2s)-2-[(2r,3s,4r,5r)-5-(2,4-dioxohexahydropyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-4,5-dihydroxy-tetrahydropyran-3-yl]-5-methyl-hex-2-enamide
Molecular Mass 720.719 g·mol−1
Heat of Formation -3064.4 ± 16.7 kJ·mol−1
Dipole Moment 7.64 ± 1.08 D
Volume 837.62 Å 3
Surface Area 596.61 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
InChIKey VFVPUOZOQGGMBI-UPTNORBVSA-N
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