ChemSpider 2D Image | (2S,3S,4S)-5,7-Dimethoxy-4-(2,4,6-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl acetate | C31H36O11

(2S,3S,4S)-5,7-Dimethoxy-4-(2,4,6-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl acetate

  • Molecular FormulaC31H36O11
  • Average mass584.611 Da
  • Monoisotopic mass584.225769 Da
  • ChemSpider ID8706761

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4S)-5,7-Dimethoxy-4-(2,4,6-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl acetate [ACD/IUPAC Name]
(2S,3S,4S)-5,7-Dimethoxy-4-(2,4,6-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl-acetat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3-ol, 3,4-dihydro-5,7-dimethoxy-4-(2,4,6-trimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-, acetate, (2S,3S,4S)- [ACD/Index Name]
Acétate de (2S,3S,4S)-5,7-diméthoxy-4-(2,4,6-triméthoxyphényl)-2-(3,4,5-triméthoxyphényl)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 273.1±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 960.55
ACD/KOC (pH 5.5): 4747.73
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 960.55
ACD/KOC (pH 7.4): 4747.73
Polar Surface Area: 109 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 456.3±5.0 cm3

Click to predict properties on the Chemicalize site


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