Found 33 results

Search term: MF = 'C_{32}H_{45}NO_{6}'
ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3R,4E)-14-(4-benzoylphenoxy)-1,3-dihydroxy-4-tetradecen-2-yl]carbamate | C32H45NO6

2-Methyl-2-propanyl [(2S,3R,4E)-14-(4-benzoylphenoxy)-1,3-dihydroxy-4-tetradecen-2-yl]carbamate

  • Molecular FormulaC32H45NO6
  • Average mass539.703 Da
  • Monoisotopic mass539.324707 Da
  • ChemSpider ID9278643

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,3R,4E)-14-(4-Benzoylphénoxy)-1,3-dihydroxy-4-tétradécén-2-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3R,4E)-14-(4-benzoylphenoxy)-1,3-dihydroxy-4-tetradecen-2-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R,4E)-14-(4-benzoylphenoxy)-1,3-dihydroxy-4-tetradecen-2-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R,3E)-13-(4-benzoylphenoxy)-2-hydroxy-1-(hydroxymethyl)-3-tridecen-1-yl]-, 1,1-dimethylethyl ester [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: 695.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 154.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38355.74
ACD/KOC (pH 5.5): 66479.70
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38351.15
ACD/KOC (pH 7.4): 66471.74
Polar Surface Area: 105 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 490.4±3.0 cm3

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