3-Deoxy-3-[(E)-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methylene)Amino]-6-O-Phosphono-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C14H22N2O13P2
IUPAC Name [5-hydroxy-6-methyl-4-[(e)-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-4-yl]iminomethyl]-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 488.278 g·mol−1
Heat of Formation -2839.7 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 501.24 Å 3
Surface Area 442.31 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey QZSIYKBKRPMGJB-ZKLPQXMUSA-N
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