(2S)-4-Amino-N-[(1R,2S,3R,4R,5S)-5-Amino-4-[(2-Amino-2-Deoxy-α-D-Glucopyranosyl)Oxy]-3-{[3-O-(2,6-Diamino-2,6-Dideoxy-Beta-L-Idopyranosyl)-2-O-{2-[(2-Phenylethyl)Amino]Ethyl}-Beta-D-Ribofuranosyl]Oxy}-2-Hydroxycyclohexyl]-2-Hydroxybutanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C37H65N7O16
IUPAC Name (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-3-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]tetrahydrofuran-2-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
Molecular Mass 863.949 g·mol−1
Heat of Formation -2885.6 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 1024.79 Å 3
Surface Area 774.63 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-3-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]oxolan-2-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-3-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]tetrahydrofuran-2-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-3-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-methylol-3-[2-(2-phenylethylamino)ethoxy]tetrahydrofuran-2-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butyramide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-3-[(2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]oxolan-2-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-3-[[(2s,3r,4r,5r)-4-[[(2r,3r,4r,5s,6s)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-tetrahydropyranyl]oxy]-5-(hydroxymethyl)-3-[2-(2-phenylethylamino)ethoxy]-2-tetrahydrofuranyl]oxy]-4-[[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide
  • lha
InChIKey KITFYJSEQIOMTC-AFTVZRPJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N