ChemSpider 2D Image | Methyl [(1E,5R)-5-{4-hydroxy-2-oxo-3-[(2E,4E,8E,12E)-2,5,9-trimethyl-2,4,8,12-pentadecatetraenoyl]-2H-pyran-6-yl}-1-hexen-1-yl]carbamate | C31H43NO6

Methyl [(1E,5R)-5-{4-hydroxy-2-oxo-3-[(2E,4E,8E,12E)-2,5,9-trimethyl-2,4,8,12-pentadecatetraenoyl]-2H-pyran-6-yl}-1-hexen-1-yl]carbamate

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID58825909

  • 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

[(1E,5R)-5-{4-Hydroxy-2-oxo-3-[(2E,4E,8E,12E)-2,5,9-triméthyl-2,4,8,12-pentadecatetraenoyl]-2H-pyran-6-yl}-1-hexén-1-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1E,5R)-5-[4-hydroxy-2-oxo-3-[(2E,4E,8E,12E)-2,5,9-trimethyl-1-oxo-2,4,8,12-pentadecatetraen-1-yl]-2H-pyran-6-yl]-1-hexen-1-yl]-, methyl ester [ACD/Index Name]
Methyl [(1E,5R)-5-{4-hydroxy-2-oxo-3-[(2E,4E,8E,12E)-2,5,9-trimethyl-2,4,8,12-pentadecatetraenoyl]-2H-pyran-6-yl}-1-hexen-1-yl]carbamate [ACD/IUPAC Name]
Methyl-[(1E,5R)-5-{4-hydroxy-2-oxo-3-[(2E,4E,8E,12E)-2,5,9-trimethyl-2,4,8,12-pentadecatetraenoyl]-2H-pyran-6-yl}-1-hexen-1-yl]carbamat [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: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 342.4±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.20
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 21532.53
ACD/KOC (pH 5.5): 31321.05
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 408.64
ACD/KOC (pH 7.4): 594.41
Polar Surface Area: 102 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 481.3±3.0 cm3

Click to predict properties on the Chemicalize site


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