ChemSpider 2D Image | 1-({(2R,3S)-1,4-Bis(benzyloxy)-3-[(4-methoxybenzyl)oxy]-2-butanyl}oxy)-2-methoxybenzene | C33H36O6

1-({(2R,3S)-1,4-Bis(benzyloxy)-3-[(4-methoxybenzyl)oxy]-2-butanyl}oxy)-2-methoxybenzene

  • Molecular FormulaC33H36O6
  • Average mass528.635 Da
  • Monoisotopic mass528.251160 Da
  • ChemSpider ID8681742

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-({(2R,3S)-1,4-Bis(benzyloxy)-3-[(4-methoxybenzyl)oxy]-2-butanyl}oxy)-2-methoxybenzene [ACD/IUPAC Name]
1-({(2R,3S)-1,4-Bis(benzyloxy)-3-[(4-méthoxybenzyl)oxy]-2-butanyl}oxy)-2-méthoxybenzène [French] [ACD/IUPAC Name]
1-({(2R,3S)-1,4-Bis(benzyloxy)-3-[(4-methoxybenzyl)oxy]-2-butanyl}oxy)-2-methoxybenzol [German] [ACD/IUPAC Name]
Benzene, 1-methoxy-2-[(1R,2S)-2-[(4-methoxyphenyl)methoxy]-3-(phenylmethoxy)-1-[(phenylmethoxy)methyl]propoxy]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 649.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 247.9±31.4 °C
Index of Refraction: 1.575
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 6.85
ACD/BCF (pH 5.5): 94502.83
ACD/KOC (pH 5.5): 126765.93
ACD/LogD (pH 7.4): 6.85
ACD/BCF (pH 7.4): 94502.83
ACD/KOC (pH 7.4): 126765.93
Polar Surface Area: 55 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 462.4±3.0 cm3

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