ChemSpider 2D Image | 1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl beta-D-glucopyranoside | C25H32O9

1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl β-D-glucopyranoside

  • Molecular FormulaC25H32O9
  • Average mass476.516 Da
  • Monoisotopic mass476.204620 Da
  • ChemSpider ID22912898

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl β-D-glucopyranoside [ACD/IUPAC Name]
1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-Heptanone, 5-(β-D-glucopyranosyloxy)-1,7-bis(4-hydroxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside de 1,7-bis(4-hydroxyphényl)-5-oxo-3-heptanyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 267.1±26.4 °C
Index of Refraction: 1.641
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.58
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 42.37
Polar Surface Area: 157 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 338.9±5.0 cm3

Click to predict properties on the Chemicalize site


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