ChemSpider 2D Image | N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide | C24H36N4O11

N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(α-D-galactopyranosyloxy)-5-nitrobenzamide

  • Molecular FormulaC24H36N4O11
  • Average mass556.563 Da
  • Monoisotopic mass556.238037 Da
  • ChemSpider ID4449826

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, 3-(α-D-galactopyranosyloxy)-N-[2-(4-morpholinyl)-1-(4-morpholinylmethyl)ethyl]-5-nitro- [ACD/Index Name]
N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(α-D-galactopyranosyloxy)-5-nitrobenzamid [German] [ACD/IUPAC Name]
N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(α-D-galactopyranosyloxy)-5-nitrobenzamide [ACD/IUPAC Name]
N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(α-D-galactopyranosyloxy)-5-nitrobenzamide [French] [ACD/IUPAC Name]
1DM
N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
R-BICALUTAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 815.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 446.8±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.65
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 199 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 391.3±3.0 cm3

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