(2R,3R,4R,5S,6R)-3-Acetamido-5-Hydroxy-4-{[(3R)-3-Hydroxydodecanoyl]Amino}-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Formula C29H50N4O18P2
IUPAC Name [(2r,3r,4r,5s,6r)-3-acetamido-5-hydroxy-4-[[(3r)-3-hydroxydodecanoyl]amino]-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 804.671 g·mol−1
Heat of Formation -4085.9 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 908.37 Å 3
Surface Area 745.1 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey AGYVEKOUTSGPCD-SSVOXRMNSA-N
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