6'-N-5-Hexynoate Kanamycin A

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Formula C24H43N5O11
IUPAC Name n-[[(2r,3s,4r,5r,6r)-5-amino-6-[(1r,2s,3s,4r,6s)-4,6-diamino-3-[(2r,3s,4r,5r,6s)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]hex-5-ynamide
Molecular Mass 577.625 g·mol−1
Heat of Formation -1939.0 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 682.29 Å 3
Surface Area 484.2 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
InChIKey FGXFDHMHQXCXKR-TZRNERSCSA-N
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