2-Chloro-4-Nitrophenyl 2-Acetamido-2-Deoxy-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C14H17ClN2O8
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-(2-chloro-4-nitro-phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 376.746 g·mol−1
Heat of Formation -1078.0 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 396.12 Å 3
Surface Area 338.84 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-4-nitrophenyl-n-acetyl-beta-d-glucosaminide
  • 2-chloro-4-nitrophenyl-n-acetylglucosaminide
  • beta-d-glucopyranoside, 2-chloro-4-nitrophenyl 2-(acetylamino)-2-deoxy-
  • cnp-nag
  • n-[(2s,3r,4r,5s,6r)-2-(2-chloro-4-nitro-phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-(2-chloro-4-nitro-phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-(2-chloro-4-nitro-phenoxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 103614-82-0
InChIKey UBBCYDPSFMEFFL-DHGKCCLASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl