ChemSpider 2D Image | (1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (3R)-3-hydroxy-3-(2-methoxy-3-{[(triethylsilyl)oxy]methyl}-4-pyridinyl)pentanoate | C34H53NO5Si

(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (3R)-3-hydroxy-3-(2-methoxy-3-{[(triethylsilyl)oxy]methyl}-4-pyridinyl)pentanoate

  • Molecular FormulaC34H53NO5Si
  • Average mass583.874 Da
  • Monoisotopic mass583.369324 Da
  • ChemSpider ID17247347
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (3R)-3-hydroxy-3-(2-methoxy-3-{[(triethylsilyl)oxy]methyl}-4-pyridinyl)pentanoate [ACD/IUPAC Name]
(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl-(3R)-3-hydroxy-3-(2-methoxy-3-{[(triethylsilyl)oxy]methyl}-4-pyridinyl)pentanoat [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-3-(2-méthoxy-3-{[(triéthylsilyl)oxy]méthyl}-4-pyridinyl)pentanoate de (1R,2S,5R)-5-méthyl-2-(2-phényl-2-propanyl)cyclohexyle [French] [ACD/IUPAC Name]
4-Pyridinepropanoic acid, β-ethyl-β-hydroxy-2-methoxy-3-[[(triethylsilyl)oxy]methyl]-, (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester, (βR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 169.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 925084.25
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 927581.13
Polar Surface Area: 78 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 546.6±5.0 cm3

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