ChemSpider 2D Image | N-(4-Chlorobenzylidene)-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-beta-D-erythro-hexopyranosylamine | C33H48ClNO9

N-(4-Chlorobenzylidene)-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-erythro-hexopyranosylamine

  • Molecular FormulaC33H48ClNO9
  • Average mass638.188 Da
  • Monoisotopic mass637.301758 Da
  • ChemSpider ID111309107

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

N-(4-Chlorbenzyliden)-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-erythro-hexopyranosylamin [German] [ACD/IUPAC Name]
N-(4-Chlorobenzylidene)-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-erythro-hexopyranosylamine [ACD/IUPAC Name]
N-(4-Chlorobenzylidène)-2,3,4,6-tétrakis-O-(2,2-diméthylpropanoyl)-β-D-érythro-hexopyranosylamine [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranosylamine, N-[(4-chlorophenyl)methylene]-, 2,3,4,6-tetrakis(2,2-dimethylpropanoate) [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 630.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.2±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 167.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 838578.88
ACD/KOC (pH 5.5): 604806.19
ACD/LogD (pH 7.4): 8.10
ACD/BCF (pH 7.4): 838751.06
ACD/KOC (pH 7.4): 604930.38
Polar Surface Area: 127 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 36.3±7.0 dyne/cm
Molar Volume: 552.4±7.0 cm3

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