Xk 70-1

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Properties Simple | Detailed

Formula C17H35N5O6
IUPAC Name 2-amino-n-[(1s,2r,3r,4s,5s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-[(1s)-1-aminoethyl]tetrahydropyran-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-n-methyl-acetamide
Molecular Mass 405.490 g·mol−1
Heat of Formation -1169.4 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 487.53 Å 3
Surface Area 380.83 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,4r,5s,6r)-2-amino-5-[glycyl(methyl)amino]-3,6-dihydroxy-4-(methyloxy)cyclohexyl 2,6-diamino-2,3,4,6,7-pentadeoxy-beta-l-lyxo-heptopyranoside
  • 2-amino-n-[(1s,2r,3r,4s,5s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-[(1s)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-n-methyl-ethanamide
  • 2-amino-n-[(1s,2r,3r,4s,5s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-[(1s)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-n-methylacetamide
  • 2-amino-n-[(1s,2r,3r,4s,5s,6r)-4-amino-3-[(2r,3r,6s)-3-amino-6-[(1s)-1-aminoethyl]tetrahydropyran-2-yl]oxy-2,5-dihydroxy-6-methoxy-cyclohexyl]-n-methyl-acetamide
  • 2-amino-n-[(1s,2r,3r,4s,5s,6r)-4-amino-3-[[(2r,3r,6s)-3-amino-6-[(1s)-1-aminoethyl]-2-tetrahydropyranyl]oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-n-methylacetamide
InChIKey BIDUPMYXGFNAEJ-APGVDKLISA-N
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