(2S)-3-Amino-N-[(1R,2S,3S,4R,5S)-5-Amino-4-[(6-Amino-6-Deoxy-α-D-Glucopyranosyl)Oxy]-2-{[3-Deoxy-4-C-Methyl-3-(Methylamino)-Beta-L-Arabinopyranosyl]Oxy}-3-Hydroxycyclohexyl]-2-Hydroxypropanamide

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Properties Simple | Detailed

Formula C22H43N5O12
IUPAC Name (2s)-3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-methylaminooxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
Molecular Mass 569.603 g·mol−1
Heat of Formation -2299.7 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 651.72 Å 3
Surface Area 494.67 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-2-[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-methylamino-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propanamide
  • (2s)-3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-methylamino-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propanamide
  • (2s)-3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-methylamino-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propionamide
  • (2s)-3-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-[[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-2-[[(2r,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-methylamino-2-tetrahydropyranyl]oxy]-3-hydroxycyclohexyl]-2-hydroxypropanamide
  • d02545
  • isepamicin (usan)
InChIKey UDIIBEDMEYAVNG-ZKFPOVNWSA-N
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