ChemSpider 2D Image | 2,4-Dibromo-6-[3-(3,5-dibromo-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside | C21H20Br4O10

2,4-Dibromo-6-[3-(3,5-dibromo-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC21H20Br4O10
  • Average mass751.994 Da
  • Monoisotopic mass747.778992 Da
  • ChemSpider ID119077
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-Propanone, 1-(3,5-dibromo-2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(3,5-dibromo-4-hydroxyphenyl)-
1-Propanone, 1-[3,5-dibromo-2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)- [ACD/Index Name]
2,4-Dibrom-6-[3-(3,5-dibrom-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,4-Dibromo-6-[3-(3,5-dibromo-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de 2,4-dibromo-6-[3-(3,5-dibromo-4-hydroxyphényl)propanoyl]-3,5-dihydroxyphényle [French] [ACD/IUPAC Name]
1,3,3',5'-Tetrabromophlorhizin
86158-06-7 [RN]
Tetrabromophlorizin

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

Density: 2.2±0.1 g/cm3
Boiling Point: 806.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 441.8±34.3 °C
Index of Refraction: 1.728
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 50.99
ACD/KOC (pH 5.5): 223.07
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 345.3±3.0 cm3

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