N-{6-[(Methoxycarbonyl)Amino]Hexanoyl}-β-D-Galactopyranosylamine

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Properties Simple | Detailed

Formula C14H26N2O8
IUPAC Name methyl n-[6-oxo-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]hexyl]carbamate
Molecular Mass 350.365 g·mol−1
Heat of Formation -1582.4 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 413.84 Å 3
Surface Area 383.19 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • [5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester
  • bmsc-0013
  • methyl n-[6-oxo-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]hexyl]carbamate
  • methyl n-[6-oxo-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]hexyl]carbamate
  • n-[6-keto-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]amino]hexyl]carbamic acid methyl ester
  • n-[6-oxo-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]amino]hexyl]carbamic acid methyl ester
InChIKey YTYAKGJMNHDUDF-UUWLPUTASA-N
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