ChemSpider 2D Image | 5-Bromo-1H-indol-3-yl (5xi)-alpha-L-ribo-hexopyranoside | C14H16BrNO6

5-Bromo-1H-indol-3-yl (5ξ)-α-L-ribo-hexopyranoside

  • Molecular FormulaC14H16BrNO6
  • Average mass374.184 Da
  • Monoisotopic mass373.016083 Da
  • ChemSpider ID24540344

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ)-α-L-ribo-Hexopyranoside de 5-bromo-1H-indol-3-yle [French] [ACD/IUPAC Name]
5-Brom-1H-indol-3-yl-(5ξ)-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
5-Bromo-1H-indol-3-yl (5ξ)-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
α-L-ribo-Hexopyranoside, 5-bromo-1H-indol-3-yl, (5ξ)- [ACD/Index Name]
(4S,5S,6S,3R)-6-(5-bromoindol-3-yloxy)-2-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-3,4,5-triol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 646.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.731
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.29
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.29
Polar Surface Area: 115 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 205.1±3.0 cm3

Click to predict properties on the Chemicalize site


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