ChemSpider 2D Image | 4''-Butoxy-3',5'-dihydroxy-1,1':4',1''-terphenyl-2'-yl beta-D-glucopyranoside | C28H32O9

4''-Butoxy-3',5'-dihydroxy-1,1':4',1''-terphenyl-2'-yl β-D-glucopyranoside

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID24695201

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4''-Butoxy-3',5'-dihydroxy-1,1':4',1''-terphenyl-2'-yl β-D-glucopyranoside [ACD/IUPAC Name]
4''-Butoxy-3',5'-dihydroxy-1,1':4',1''-terphenyl-2'-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4''-butoxy-3',5'-dihydroxy-1,1':4',1''-terphényl-2'-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4''-butoxy-3',5'-dihydroxy[1,1':4',1''-terphenyl]-2'-yl [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468209/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 746.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.1±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.03
ACD/KOC (pH 5.5): 328.62
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.35
ACD/KOC (pH 7.4): 304.62
Polar Surface Area: 149 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 377.5±3.0 cm3

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