ChemSpider 2D Image | (2S,4R,6S)-2-(3,4-Dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl beta-D-glucopyranoside | C25H32O11

(2S,4R,6S)-2-(3,4-Dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl β-D-glucopyranoside

  • Molecular FormulaC25H32O11
  • Average mass508.515 Da
  • Monoisotopic mass508.194458 Da
  • ChemSpider ID28664657

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,4R,6S)-2-(3,4-Dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S,4R,6S)-2-(3,4-Dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (2S,4R,6S)-2-(3,4-dihydroxyphényl)-6-[2-(3,4-dihydroxyphényl)éthyl]tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,4R,6S)-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-2H-pyran-4-yl [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: 810.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.1±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.83
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.57
Polar Surface Area: 190 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 95.6±5.0 dyne/cm
Molar Volume: 324.0±5.0 cm3

Click to predict properties on the Chemicalize site


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