ChemSpider 2D Image | 5-Bromo-4-chloro-1H-indol-3-yl beta-D-mannopyranoside | C14H15BrClNO6

5-Bromo-4-chloro-1H-indol-3-yl β-D-mannopyranoside

  • Molecular FormulaC14H15BrClNO6
  • Average mass408.629 Da
  • Monoisotopic mass406.977112 Da
  • ChemSpider ID21435954

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

5-Brom-4-chlor-1H-indol-3-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
5-Bromo-4-chloro-1H-indol-3-yl β-D-mannopyranoside [ACD/IUPAC Name]
β-D-Mannopyranoside de 5-bromo-4-chloro-1H-indol-3-yle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, 5-bromo-4-chloro-1H-indol-3-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-((5-Bromo-4-chloro-1H-indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-[(5-Bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
(2S,4R,5S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
129787-67-3 [RN]
15548-60-4 [RN]
5-Bromo-4-chloro-3-indolyl b-D-glucopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 673.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.3±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 68.96
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.60
ACD/KOC (pH 7.4): 68.95
Polar Surface Area: 115 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 78.9±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

Click to predict properties on the Chemicalize site


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