4-[2-Amino-3-(β-D-Glucopyranosyloxy)Phenyl]-4-Oxobutanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C16H21NO9
IUPAC Name 4-[2-amino-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-oxo-butanoic acid
Molecular Mass 371.339 g·mol−1
Heat of Formation -1592.1 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 414.78 Å 3
Surface Area 354.35 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-amino-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-4-oxo-butanoic acid
  • 4-[2-amino-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxobutanoic acid
  • 4-[2-amino-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-oxo-butanoic acid
  • 4-[2-amino-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-4-keto-butyric acid
  • 4-[2-amino-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-oxobutanoic acid
InChIKey XEXCWFKGYJFAQK-LMXXTMHSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N