Ethyl 4-{2-[(2R,3R,4R,5S)-3,4,5-Trihydroxy-2-(Hydroxymethyl)-1-Piperidinyl]Ethoxy}Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H25NO7
IUPAC Name ethyl 4-[2-[(1s,2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidyl]ethoxy]benzoate
Molecular Mass 355.383 g·mol−1
Heat of Formation -1204.1 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 417.16 Å 3
Surface Area 377.11 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-dideoxy-1,5-((2-(4-(ethoxycarbonyl)phenoxy)ethyl)imino)-d-glucitol
  • 4-[2-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy]benzoic acid ethyl ester
  • 4-[2-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-methylol-1-piperidyl]ethoxy]benzoic acid ethyl ester
  • bay o 1248
  • bay-o-1248
  • emiglitate
  • emiglitate [ban:inn]
  • emiglitato [spanish]
  • emiglitatum [latin]
  • ethyl 4-[2-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidyl]ethoxy]benzoate
  • ethyl 4-[2-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzoate
  • ethyl p-(2-((2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidino)ethoxy)benzoate
  • mkc-542
CAS Number(s)
  • 80879-63-6
InChIKey NWWORXYTJRPSMC-QKPAOTATSA-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