ChemSpider 2D Image | 5-Bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosyl-(1->4)-beta-L-glucopyranosyl-(1->4)-beta-D-glucopyranoside | C26H35BrClNO16

5-Bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosyl-(1->4)-β-L-glucopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC26H35BrClNO16
  • Average mass732.910 Da
  • Monoisotopic mass731.082764 Da
  • ChemSpider ID34978424

  • defined stereocentres - 15 of 15 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-glucopyranosyl-(1->4)-β-L-glucopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-Bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosyl-(1->4)-β-L-glucopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-bromo-4-chloro-1H-indol-3-yl O-β-D-glucopyranosyl-(1->4)-O-β-L-glucopyranosyl-(1->4)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-β-L-glucopyranosyl-(1->4)-β-D-glucopyranoside de 5-bromo-4-chloro-1H-indol-3-yle [French] [ACD/IUPAC Name]
341972-94-9 [RN]
5-Bromo-4-chloro-3-indolyl α-D-maltotrioside
X-α-D-maltotriose

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1034.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.5±3.0 kJ/mol
Flash Point: 579.6±34.3 °C
Index of Refraction: 1.738
Molar Refractivity: 153.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.42
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 273 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 116.2±5.0 dyne/cm
Molar Volume: 381.5±5.0 cm3

Click to predict properties on the Chemicalize site


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