(1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2,6-Diamino-2,3,6-Trideoxy-α-D-Ribo-Hexopyranosyl)Oxy]-2-Hydroxycyclohexyl 3-Amino-3-Deoxy-α-D-Allopyranoside

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Properties Simple | Detailed

Formula C18H37N5O9
IUPAC Name (2s,3r,4r,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,5s,6r)-3-amino-6-(aminomethyl)-5-hydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol
Molecular Mass 467.514 g·mol−1
Heat of Formation -1737.8 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 541.69 Å 3
Surface Area 421.33 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,5s,6r)-3-amino-6-(aminomethyl)-5-hydroxy-oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
  • (2s,3r,4r,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,5s,6r)-3-amino-6-(aminomethyl)-5-hydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol
  • (2s,3r,4r,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,5s,6r)-3-amino-6-(aminomethyl)-5-hydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-methylol-tetrahydropyran-3,5-diol
  • (2s,3r,4r,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[[(2r,3r,5s,6r)-3-amino-6-(aminomethyl)-5-hydroxy-2-tetrahydropyranyl]oxy]-2-hydroxycyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol
  • o-[3-amino-3-deoxy-alpha-d-glucopyranosyl-(1->6)]-o-[2,6-diamino-2,3,6-trideoxy-alpha-d-ribohexopyranosyl-(1->4)]-2-deoxy-d-streptamine
InChIKey NLVFBUXFDBBNBW-SNGYORCQSA-N
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