ChemSpider 2D Image | 5-Bromo-1H-indol-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C20H26BrNO11

5-Bromo-1H-indol-3-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC20H26BrNO11
  • Average mass536.325 Da
  • Monoisotopic mass535.068909 Da
  • ChemSpider ID115236

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 5-bromo-1H-indol-3-yle [French] [ACD/IUPAC Name]
5-Brom-1H-indol-3-yl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-Bromo-1H-indol-3-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-bromo-1H-indol-3-yl 4-O-β-D-glucopyranosyl- [ACD/Index Name]
124613-91-8 [RN]
5-BROMOINDOXYL-SS-CELLOBIOSIDE
5-Bromoindoxyl-β-cellobioside
Bri-cellobioside

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

Density: 1.9±0.1 g/cm3
Boiling Point: 847.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.01
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.01
Polar Surface Area: 194 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 107.5±5.0 dyne/cm
Molar Volume: 286.6±5.0 cm3

Click to predict properties on the Chemicalize site


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