ChemSpider 2D Image | (2S)-4-(3,4-Dihydroxyphenyl)-2-butanyl beta-D-glucopyranoside | C16H24O8

(2S)-4-(3,4-Dihydroxyphenyl)-2-butanyl β-D-glucopyranoside

  • Molecular FormulaC16H24O8
  • Average mass344.357 Da
  • Monoisotopic mass344.147125 Da
  • ChemSpider ID35516954

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-4-(3,4-Dihydroxyphenyl)-2-butanyl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-4-(3,4-Dihydroxyphenyl)-2-butanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (2S)-4-(3,4-dihydroxyphényl)-2-butanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S)-3-(3,4-dihydroxyphenyl)-1-methylpropyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.3±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.70
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.65
Polar Surface Area: 140 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 234.9±5.0 cm3

Click to predict properties on the Chemicalize site


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