ChemSpider 2D Image | β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl, 2,6-bis(3,4,5-trihydroxybenzoate) | C29H30O17

β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl, 2,6-bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC29H30O17
  • Average mass650.538 Da
  • Monoisotopic mass650.148315 Da
  • ChemSpider ID103884648

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

125288-23-5 [RN]
2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside de 3,4,5-triméthoxyphényle [French] [ACD/IUPAC Name]
3,4,5-Trimethoxyphenyl 2,6-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3,4,5-Trimethoxyphenyl-2,6-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl, 2,6-bis(3,4,5-trihydroxybenzoate)
β-D-Glucopyranoside, 3,4,5-trimethoxyphenyl, 2,6-bis(3,4,5-trihydroxybenzoate) [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 988.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.9±3.0 kJ/mol
Flash Point: 321.3±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.93
ACD/KOC (pH 5.5): 356.52
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 11.95
ACD/KOC (pH 7.4): 164.38
Polar Surface Area: 261 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 105.9±5.0 dyne/cm
Molar Volume: 381.9±5.0 cm3

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