ChemSpider 2D Image | 1,3-Dihydroxy-1-(4-hydroxyphenyl)-2-propanyl beta-D-glucopyranoside | C15H22O9

1,3-Dihydroxy-1-(4-hydroxyphenyl)-2-propanyl β-D-glucopyranoside

  • Molecular FormulaC15H22O9
  • Average mass346.330 Da
  • Monoisotopic mass346.126373 Da
  • ChemSpider ID29814431

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

1,3-Dihydroxy-1-(4-hydroxyphenyl)-2-propanyl β-D-glucopyranoside [ACD/IUPAC Name]
1,3-Dihydroxy-1-(4-hydroxyphenyl)-2-propanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Hydroxy-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl β-D-glucopyranoside
84744-60-5 [RN]
β-D-Glucopyranoside de 1,3-dihydroxy-1-(4-hydroxyphényl)-2-propanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-hydroxy-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 709.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 80.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 160 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 95.3±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site


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