ChemSpider 2D Image | Benzyl (2E)-3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}acrylate | C16H21NO5

Benzyl (2E)-3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}acrylate

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID78434255

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-{[(2R)-2,4-Dihydroxy-3,3-diméthylbutanoyl]amino}acrylate de benzyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-, phenylmethyl ester, (2E)- [ACD/Index Name]
Benzyl (2E)-3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}acrylate [ACD/IUPAC Name]
Benzyl-(2E)-3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 292.0±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.84
ACD/KOC (pH 5.5): 73.37
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 73.37
Polar Surface Area: 96 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 252.8±3.0 cm3

Click to predict properties on the Chemicalize site


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