ChemSpider 2D Image | (2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3-(4-methoxyphenyl)propanoate | C30H34O9

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

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID59006414

  • 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-methoxyphenyl)propanoate [ACD/IUPAC Name]
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3-(4-methoxyphenyl)propanoat [German] [ACD/IUPAC Name]
3-(4-Méthoxyphényl)propanoate de (2R,3R)-5,7-diméthoxy-2-(3,4,5-triméthoxyphényl)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-methoxy-, (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: 659.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 276.9±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2996.48
ACD/KOC (pH 5.5): 10718.98
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2996.48
ACD/KOC (pH 7.4): 10718.98
Polar Surface Area: 91 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 428.7±5.0 cm3

Click to predict properties on the Chemicalize site


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