(2R)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-Amino-4-[(2-Amino-2-Deoxy-α-D-Glucopyranosyl)Oxy]-2-{2-[(3-Aminopropyl)Amino]Ethoxy}-3-Hydroxycyclohexyl]-2-Hydroxybutanamide

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Properties Simple | Detailed

Formula C21H44N6O9
IUPAC Name (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[2-(3-aminopropylamino)ethoxy]-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
Molecular Mass 524.609 g·mol−1
Heat of Formation -1724.9 ± 16.7 kJ·mol−1
Dipole Moment 10.16 ± 1.08 D
Volume 644.19 Å 3
Surface Area 514.02 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[2-(3-aminopropylamino)ethoxy]-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[2-(3-aminopropylamino)ethoxy]-3-hydroxycyclohexyl]-2-hydroxybutanamide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[2-(3-aminopropylamino)ethoxy]-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-[2-(3-aminopropylamino)ethoxy]-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide
  • (2r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-[2-(3-aminopropylamino)ethoxy]-3-hydroxycyclohexyl]-2-hydroxybutanamide
  • ab6
InChIKey MJKNCJCIMZKDAF-BORACOTDSA-N
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