1-O-({(2E,4E,6R)-7-[4-(Dimethylamino)Phenyl]-4,6-Dimethyl-7-Oxo-2,4-Heptadienoyl}Amino)-β-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C23H32N2O8
IUPAC Name (2e,4e,6r)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxo-n-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhepta-2,4-dienamide
Molecular Mass 464.509 g·mol−1
Heat of Formation -1161.3 ± 16.7 kJ·mol−1
Dipole Moment 11.71 ± 1.08 D
Volume 551.11 Å 3
Surface Area 490.27 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6r)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxo-n-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hepta-2,4-dienamide
  • (2e,4e,6r)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxo-n-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hepta-2,4-dienamide
  • (2e,4e,6r)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxo-n-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hepta-2,4-dienamide
  • (2e,4e,6r)-7-(4-dimethylaminophenyl)-7-keto-4,6-dimethyl-n-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hepta-2,4-dienamide
  • 1-o-({(2e,4e,6r)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl}amino)-beta-d-glucopyranose
  • 2,4-heptadienamide, 7-(4-(dimethylamino)phenyl)-n-(beta-d-glucopyranosyloxy)-4,6-dimethyl-7-oxo-
  • 7-(4-(dimethylamino)phenyl)-n-(beta-d-glucopyranosyloxy)-4,6-dimethyl-7-oxo-2,4-heptadienamide
  • 7-(4-(dimethylamino)phenyl)-n-(glucopyranosyloxy)-4,6-dimethyl-7-oxo-2,4-heptadienamide
  • trichostatin c
CAS Number(s)
  • 68676-88-0
InChIKey YECWTLGLNDDPGE-PIFXLSLCSA-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