ChemSpider 2D Image | Methyl (2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyano-2-(4-methoxyphenyl)-5-oxopentanoate | C26H30N2O5Si

Methyl (2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyano-2-(4-methoxyphenyl)-5-oxopentanoate

  • Molecular FormulaC26H30N2O5Si
  • Average mass478.612 Da
  • Monoisotopic mass478.192383 Da
  • ChemSpider ID77407287

  • 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-2-(4-méthoxyphényl)-5-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(1R)-3-(benzoylamino)-1-(dimethyl-2-propen-1-ylsilyl)-3-oxopropyl]-α-cyano-4-methoxy-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyano-2-(4-methoxyphenyl)-5-oxopentanoate [ACD/IUPAC Name]
Methyl-(2S,3R)-3-[allyl(dimethyl)silyl]-5-(benzoylamino)-2-cyan-2-(4-methoxyphenyl)-5-oxopentanoat [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: 634.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.6±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4655.52
ACD/KOC (pH 5.5): 14693.39
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4646.13
ACD/KOC (pH 7.4): 14663.73
Polar Surface Area: 105 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 422.1±3.0 cm3

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