[(2R,3S,4R,5R)-5-[4-Carbamoyl-5-[[[(3S,4R)-2,3,4-Trihydroxy-5-Phosphonooxy-Pentyl]Amino]Methylamino]Imidazol-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C15H29N5O15P2
IUPAC Name [(2r,3s,4r)-5-[[[5-carbamoyl-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2h-imidazol-3-ium-2-ylium-4-yl]amino]methylamino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 581.363 g·mol−1
Heat of Formation -3287.5 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 592.37 Å 3
Surface Area 490.29 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey HDCXLRQQJHBDSI-WFCIOUKESA-N
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