ChemSpider 2D Image | 2,4-Dibromo-6-[3-(3-bromo-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside | C21H21Br3O10

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

  • Molecular FormulaC21H21Br3O10
  • Average mass673.097 Da
  • Monoisotopic mass669.868469 Da
  • ChemSpider ID119078

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 3-(3-bromo-4-hydroxyphenyl)-1-(3,5-dibromo-2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-
1-Propanone, 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]- [ACD/Index Name]
2,4-Dibrom-6-[3-(3-brom-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,4-Dibromo-6-[3-(3-bromo-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de 2,4-dibromo-6-[3-(3-bromo-4-hydroxyphényl)propanoyl]-3,5-dihydroxyphényle [French] [ACD/IUPAC Name]
1,3,3'-Tribromophlorhizin
1,3,3'-Tribromophlorizin
86158-07-8 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 801.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.3±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 14.88
ACD/KOC (pH 5.5): 94.91
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 82.2±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

Click to predict properties on the Chemicalize site


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