(1R,2S,3S,4R,6S)-6-Amino-3-{[3-Deoxy-4-C-Methyl-3-(Methylamino)-β-L-Arabinopyranosyl]Oxy}-4-(Ethylamino)-2-Hydroxycyclohexyl 2,6-Diamino-2,3,4,6-Tetradeoxy-Alpha-D-Erythro-Hexopyranoside

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Formula C21H43N5O7
IUPAC Name (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-6-(ethylamino)-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
Molecular Mass 477.595 g·mol−1
Heat of Formation -1396.4 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 584.66 Å 3
Surface Area 436.02 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-ethylamino-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-ethylamino-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-6-ethylamino-2-hydroxy-cyclohexoxy]-5-methyl-4-methylamino-tetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4-amino-3-[[(2r,3r,6s)-3-amino-6-(aminomethyl)-2-tetrahydropyranyl]oxy]-6-ethylamino-2-hydroxycyclohexoxy]-5-methyl-4-methylaminotetrahydropyran-3,5-diol
InChIKey NZGMVSJQULXLHF-RAKCNUBFSA-N
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