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

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

  • Molecular FormulaC31H36O11
  • Average mass584.611 Da
  • Monoisotopic mass584.225769 Da
  • ChemSpider ID58859219

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl (3,4,5-trimethoxyphenyl)acetate [ACD/IUPAC Name]
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl-(3,4,5-trimethoxyphenyl)acetat [German] [ACD/IUPAC Name]
(3,4,5-Triméthoxyphényl)acétate de (2R,3R)-5,7-diméthoxy-2-(3,4,5-triméthoxyphényl)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3,4,5-trimethoxy-, (2R,3R)-3,4-dihydro-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2H-1-benzopyran-3-yl ester [ACD/Index 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: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 285.1±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 783.10
ACD/KOC (pH 5.5): 4102.00
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 783.10
ACD/KOC (pH 7.4): 4102.00
Polar Surface Area: 109 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 455.7±5.0 cm3

Click to predict properties on the Chemicalize site


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