Gentamicin X2

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Properties Simple | Detailed

Formula C19H31N4O10
IUPAC Name 2-[(1s,2r)-2-amino-1-[(1r,2s,3s,4r,6s)-4,6-diamino-3-[(2r,3r,4r,5r)-3,5-dihydroxy-4-isocyano-5-methyl-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-3-hydroxy-propoxy]-3-oxo-prop-2-enal
Molecular Mass 475.470 g·mol−1
Heat of Formation -1897.8 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 562.71 Å 3
Surface Area 439.85 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-methylamino-tetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-methylamino-tetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-hydroxycyclohexoxy]-5-methyl-4-methylaminotetrahydropyran-3,5-diol
InChIKey HFLKNINDVFJPQT-ZFAMMYHGSA-N
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