(1S,2S,3R,4S,6R)-4,6-Diamino-3-({(2S,3R)-3-Amino-6-[(1S)-1-Aminoethyl]-3,4-Dihydro-2H-Pyran-2-Yl}Oxy)-2-Hydroxycyclohexyl 3-Deoxy-4-C-Methyl-3-(Methylamino)-β-L-Arabinopyranoside

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Properties Simple | Detailed

Formula C20H39N5O7
IUPAC Name (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-[(1s)-1-λ1-azanylethyl]-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
Molecular Mass 461.553 g·mol−1
Heat of Formation -1275.3 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 558.31 Å 3
Surface Area 414.58 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-[(1s)-1-aminoethyl]-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-methylamino-tetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-[(1s)-1-aminoethyl]-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-[(1s)-1-aminoethyl]-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxycyclohexoxy]-5-methyl-4-methylaminotetrahydropyran-3,5-diol
  • (2r,3r,4r,5r)-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2s,3r)-3-amino-6-[(1s)-1-aminoethyl]-3,4-dihydro-2h-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol
InChIKey XUSXOPRDIDWMFO-CTMSJIKGSA-N
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