ChemSpider 2D Image | Ethyl (1R,2S,3S,4R,5S)-4-{[(2S)-2-acetoxy-2-phenylacetyl]oxy}-2-hydroxy-3-[(4-methoxybenzyl)oxy]-5-methyl-2-[2-(trimethylsilyl)-3-furyl]cyclohexanecarboxylate | C35H44O10Si

Ethyl (1R,2S,3S,4R,5S)-4-{[(2S)-2-acetoxy-2-phenylacetyl]oxy}-2-hydroxy-3-[(4-methoxybenzyl)oxy]-5-methyl-2-[2-(trimethylsilyl)-3-furyl]cyclohexanecarboxylate

  • Molecular FormulaC35H44O10Si
  • Average mass652.803 Da
  • Monoisotopic mass652.270386 Da
  • ChemSpider ID9716753

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3S,4R,5S)-4-{[(2S)-2-Acétoxy-2-phénylacétyl]oxy}-2-hydroxy-3-[(4-méthoxybenzyl)oxy]-5-méthyl-2-[2-(triméthylsilyl)-3-furyl]cyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(acetyloxy)-, (1R,2S,3S,4R,6S)-4-(ethoxycarbonyl)-3-hydroxy-2-[(4-methoxyphenyl)methoxy]-6-methyl-3-[2-(trimethylsilyl)-3-furanyl]cyclohexyl ester, (αS)- [ACD/Index Name]
Ethyl (1R,2S,3S,4R,5S)-4-{[(2S)-2-acetoxy-2-phenylacetyl]oxy}-2-hydroxy-3-[(4-methoxybenzyl)oxy]-5-methyl-2-[2-(trimethylsilyl)-3-furyl]cyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-(1R,2S,3S,4R,5S)-4-{[(2S)-2-acetoxy-2-phenylacetyl]oxy}-2-hydroxy-3-[(4-methoxybenzyl)oxy]-5-methyl-2-[2-(trimethylsilyl)-3-furyl]cyclohexancarboxylat [German] [ACD/IUPAC 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: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.2±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 173.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 344789.31
ACD/KOC (pH 5.5): 320150.66
ACD/LogD (pH 7.4): 7.59
ACD/BCF (pH 7.4): 344785.53
ACD/KOC (pH 7.4): 320147.16
Polar Surface Area: 131 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 536.3±5.0 cm3

Click to predict properties on the Chemicalize site


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