ChemSpider 2D Image | Methyl (2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyano-5-oxo-2-phenylpentanoate | C25H28N2O4Si

Methyl (2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyano-5-oxo-2-phenylpentanoate

  • Molecular FormulaC25H28N2O4Si
  • Average mass448.586 Da
  • Monoisotopic mass448.181824 Da
  • ChemSpider ID77407286

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-[Allyl(diméthyl)silyl]-5-(benzoylamino)-2-cyano-5-oxo-2-phénylpentanoate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(1R)-3-(benzoylamino)-1-(dimethyl-2-propen-1-ylsilyl)-3-oxopropyl]-α-cyano-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyano-5-oxo-2-phenylpentanoate [ACD/IUPAC Name]
Methyl-(2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyan-5-oxo-2-phenylpentanoat [German] [ACD/IUPAC 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: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5185.80
ACD/KOC (pH 5.5): 15872.83
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5175.08
ACD/KOC (pH 7.4): 15840.02
Polar Surface Area: 96 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 398.1±3.0 cm3

Click to predict properties on the Chemicalize site


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