ChemSpider 2D Image | (3R,5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanyl beta-D-glucopyranoside | C26H36O10

(3R,5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanyl β-D-glucopyranoside

  • Molecular FormulaC26H36O10
  • Average mass508.558 Da
  • Monoisotopic mass508.230835 Da
  • ChemSpider ID9148443

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanyl β-D-glucopyranoside [ACD/IUPAC Name]
(3R,5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3R,5R)-5-hydroxy-1-(4-hydroxy-3-méthoxyphényl)-7-(4-hydroxyphényl)-3-heptanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,3R)-3-hydroxy-1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-(4-hydroxyphenyl)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: 804.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.5±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 45.50
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 45.33
Polar Surface Area: 169 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 361.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement