(2S)-2-Amino-3-{[(2R,3R,4R)-3,4-Dihydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}Tetrahydro-2H-Pyran-2-Yl]Oxy}Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C14H25NO12
IUPAC Name (2s)-2-amino-3-[(2r,3r,4r,5r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-propanoic acid
Molecular Mass 399.348 g·mol−1
Heat of Formation -2177.5 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 439.23 Å 3
Surface Area 371.62 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[(2r,3r,4r,5r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-propanoic acid
  • (2s)-2-amino-3-[(2r,3r,4r,5r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropanoic acid
  • (2s)-2-amino-3-[(2r,3r,4r,5r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-propanoic acid
  • (2s)-2-amino-3-[(2r,3r,4r,5r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-propionic acid
  • (2s)-2-amino-3-[[(2r,3r,4r,5r)-3,4-dihydroxy-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]propanoic acid
InChIKey WXDKIEQFULDJDL-XUZFUWPNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N