ChemSpider 2D Image | (2S,4R)-2-(1-Mesitylethoxy)-6-methoxy-4-phenyl-3,4-dihydro-2H-chromen-7-yl 2-methyl-2-propanyl carbonate | C32H38O6

(2S,4R)-2-(1-Mesitylethoxy)-6-methoxy-4-phenyl-3,4-dihydro-2H-chromen-7-yl 2-methyl-2-propanyl carbonate

  • Molecular FormulaC32H38O6
  • Average mass518.641 Da
  • Monoisotopic mass518.266846 Da
  • ChemSpider ID9493302

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,4R)-2-(1-Mesitylethoxy)-6-methoxy-4-phenyl-3,4-dihydro-2H-chromen-7-yl 2-methyl-2-propanyl carbonate [ACD/IUPAC Name]
(2S,4R)-2-(1-Mesitylethoxy)-6-methoxy-4-phenyl-3,4-dihydro-2H-chromen-7-yl-2-methyl-2-propanylcarbonat [German] [ACD/IUPAC Name]
Carbonate de (2S,4R)-2-(1-mésityléthoxy)-6-méthoxy-4-phényl-3,4-dihydro-2H-chromén-7-yle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Carbonic acid, (2S,4R)-3,4-dihydro-6-methoxy-4-phenyl-2-[1-(2,4,6-trimethylphenyl)ethoxy]-2H-1-benzopyran-7-yl 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 252.4±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 223031.77
ACD/KOC (pH 5.5): 234388.33
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 223031.77
ACD/KOC (pH 7.4): 234388.33
Polar Surface Area: 63 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 444.5±5.0 cm3

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