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

(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (3R)-3-[3-({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2-methoxy-4-pyridinyl]-3-hydroxypentanoate

  • Molecular FormulaC34H53NO5Si
  • Average mass583.874 Da
  • Monoisotopic mass583.369324 Da
  • ChemSpider ID17247344

  • 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-[3-({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2-methoxy-4-pyridinyl]-3-hydroxypentanoate [ACD/IUPAC Name]
(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl-(3R)-3-[3-({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2-methoxy-4-pyridinyl]-3-hydroxypentanoat [German] [ACD/IUPAC Name]
(3R)-3-[3-({[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}méthyl)-2-méthoxy-4-pyridinyl]-3-hydroxypentanoate de (1R,2S,5R)-5-méthyl-2-(2-phényl-2-propanyl)cyclohexyle [French] [ACD/IUPAC Name]
4-Pyridinepropanoic acid, 3-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-β-ethyl-β-hydroxy-2-methoxy-, (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, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 169.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.62
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 511980.38
ACD/KOC (pH 5.5): 424531.25
ACD/LogD (pH 7.4): 7.82
ACD/BCF (pH 7.4): 513391.59
ACD/KOC (pH 7.4): 425701.41
Polar Surface Area: 78 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 547.0±5.0 cm3

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