N-(6-Aminohexyl)-7-(β-D-Galactopyranosyloxy)-2-Oxo-2H-Chromene-3-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30N2O9
IUPAC Name n-(6-aminohexyl)-2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromene-3-carboxamide
Molecular Mass 466.482 g·mol−1
Heat of Formation -1495.8 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 534.02 Å 3
Surface Area 471.76 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-3-carboxamide, n-(6-aminohexyl)-7-(beta-d-galactopyranosyloxy)-2-oxo-
  • 6-(7-beta-galactosylcoumarin-3-carboxamido)hexylamine
  • guah
  • n-(6-aminohexyl)-2-keto-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromene-3-carboxamide
  • n-(6-aminohexyl)-2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromene-3-carboxamide
  • n-(6-aminohexyl)-2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-3-carboxamide
  • n-(6-aminohexyl)-2-oxo-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromene-3-carboxamide
  • n-(6-aminohexyl)-2-oxo-7-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-chromenecarboxamide
CAS Number(s)
  • 77750-09-5
InChIKey RRYTZLHLIFMOTB-GPUAKUCWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N