ChemSpider 2D Image | (2R,4R)-4-[(4S,6S)-6-({[Dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl]-N,2-dimethylpentanamide | C29H51NO5Si

(2R,4R)-4-[(4S,6S)-6-({[Dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl]-N,2-dimethylpentanamide

  • Molecular FormulaC29H51NO5Si
  • Average mass521.804 Da
  • Monoisotopic mass521.353638 Da
  • ChemSpider ID74103261

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4R)-4-[(4S,6S)-6-({[Dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl]-N,2-dimethylpentanamid [German] [ACD/IUPAC Name]
(2R,4R)-4-[(4S,6S)-6-({[Dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-[(1S,2S)-1-hydroxy-1-phenyl-2-propanyl]-N,2-dimethylpentanamide [ACD/IUPAC Name]
(2R,4R)-4-[(4S,6S)-6-({[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}méthyl)-2,2-diméthyl-1,3-dioxan-4-yl]-N-[(1S,2S)-1-hydroxy-1-phényl-2-propanyl]-N,2-diméthylpentanamide [French] [ACD/IUPAC Name]
1,3-Dioxane-4-butanamide, 6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]-N,α,γ,2,2-pentamethyl-, (αR,γR,4S,6S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 302.1±30.1 °C
Index of Refraction: 1.487
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10610.72
ACD/KOC (pH 5.5): 26498.26
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10610.71
ACD/KOC (pH 7.4): 26498.23
Polar Surface Area: 68 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 520.9±3.0 cm3

Click to predict properties on the Chemicalize site


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