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ChemSpider 2D Image | 3-Hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucopyranoside | C29H30O12

3-Hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC29H30O12
  • Average mass570.541 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID9730774

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Hydroxy-3,5-diméthoxybenzoyl)-β-D-glucopyranoside de 3-hydroxy-5-[(E)-2-(4-hydroxyphényl)vinyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl, 6-(4-hydroxy-3,5-dimethoxybenzoate) [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: 840.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 276.7±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.03
ACD/KOC (pH 5.5): 555.83
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 40.54
ACD/KOC (pH 7.4): 469.23
Polar Surface Area: 185 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 387.8±3.0 cm3

Click to predict properties on the Chemicalize site


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