ChemSpider 2D Image | TLR4-C34 | C17H27NO9

TLR4-C34

  • Molecular FormulaC17H27NO9
  • Average mass389.398 Da
  • Monoisotopic mass389.168579 Da
  • ChemSpider ID34500445

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-5-acetamido-6-(propan-2-yloxy)oxan-2-yl]methyl acetate
[(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-5-acetamido-6-isopropoxyoxan-2-yl]methyl acetate
2-Acétamido-3,4,6-tri-O-acétyl-2-désoxy-α-D-glucopyranoside d'isopropyle [French] [ACD/IUPAC Name]
40592-88-9 [RN]
Isopropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
Isopropyl-2-acetamido-3,4,6-tri-O-acetyl-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
TLR4-C34
α-D-Glucopyranoside, 1-methylethyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate [ACD/Index Name]
(2R,3S,4R,5R,6S)-5-Acetamido-2-(acetoxymethyl)-6-isopropoxytetrahydro-2H-pyran-3,4-diyl diacetate
[40592-88-9] [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzyme-Linked Receptors Tocris Bioscience 5373
      TLR4 inhibitor Tocris Bioscience 5373
      TLR4 inhibitor; attenuates TLR4 signaling in enterocytes and macrophages in vitro, and reduces systemic inflammation in mouse models of endotoxemia and necrotizing enterocolitis (NEC). Also suppresses LPS signaling in human ileum displaying NEC ex-vivo. Displays no significant effects on signaling via TLR2 or TLR9. Tocris Bioscience 5373
      TLR4 inhibitor; attenuates TLR4 signaling in enterocytes and macrophages in vitro, and reduces systemic inflammation in mouse models of endotoxemia and necrotizing enterocolitis (NEC). Also suppresses LPS signaling in human ileum displaying NEC ex-vivo. Displays no significant effects on signaling via TLR2 or TLR9. Tocris Bioscience 5373
      Toll-like Receptors Tocris Bioscience 5373

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.484
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 70.33
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.67
ACD/KOC (pH 7.4): 70.33
Polar Surface Area: 126 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement