(2S)-4-Amino-N-{(1R,2S,3R,4R,5S)-5-Amino-3-[(4-Amino-4,6-Dideoxy-β-D-Glucopyranosyl)Oxy]-4-[(2,6-Diamino-2,3,4,6-Tetradeoxy-Alpha-D-Erythro-Hexopyranosyl)Oxy]-2-Hydroxycyclohexyl}-2-Hydroxybutanamide

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Properties Simple | Detailed

Formula C22H44N6O9
IUPAC Name (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-3-[(2s,3r,4s,5s,6r)-5-amino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
Molecular Mass 536.620 g·mol−1
Heat of Formation -1799.8 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 642.09 Å 3
Surface Area 471.62 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-[(2s,3r,4s,5s,6r)-5-amino-3,4-dihydroxy-6-methyl-oxan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-[(2s,3r,4s,5s,6r)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-3-[(2s,3r,4s,5s,6r)-5-amino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-3-[(2s,3r,4s,5s,6r)-5-amino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butyramide
  • (2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[[(2r,3r,6s)-3-amino-6-(aminomethyl)-2-tetrahydropyranyl]oxy]-3-[[(2s,3r,4s,5s,6r)-5-amino-3,4-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide
InChIKey XUIOIKYDMYXBFJ-ZWQGTLNRSA-N
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