ChemSpider 2D Image | (2S)-2-(2,5-Dimethoxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside | C25H30O11

(2S)-2-(2,5-Dimethoxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID8872259

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-(2,5-Dimethoxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(2,5-Dimethoxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-7-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-6,8-dimethyl-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de (2S)-2-(2,5-diméthoxyphényl)-5-hydroxy-6,8-diméthyl-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 785.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 266.0±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.64
ACD/KOC (pH 5.5): 201.32
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 8.32
ACD/KOC (pH 7.4): 143.95
Polar Surface Area: 164 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

Click to predict properties on the Chemicalize site


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