ChemSpider 2D Image | 1,7-Bis(4-hydroxyphenyl)-3-heptanyl beta-D-glucopyranoside | C25H34O8

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

  • Molecular FormulaC25H34O8
  • Average mass462.533 Da
  • Monoisotopic mass462.225372 Da
  • ChemSpider ID21615458

  • 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)-3-heptanyl β-D-glucopyranoside [ACD/IUPAC Name]
1,7-Bis(4-hydroxyphenyl)-3-heptanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 1,7-bis(4-hydroxyphényl)-3-heptanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl [ACD/Index 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: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.1±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.95
ACD/KOC (pH 5.5): 252.68
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.89
ACD/KOC (pH 7.4): 251.71
Polar Surface Area: 140 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 342.1±5.0 cm3

Click to predict properties on the Chemicalize site


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