ChemSpider 2D Image | 6a-Isopropyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl N-dodecylglycinate | C33H49NO7

6a-Isopropyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl N-dodecylglycinate

  • Molecular FormulaC33H49NO7
  • Average mass571.745 Da
  • Monoisotopic mass571.350891 Da
  • ChemSpider ID24643060

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

6a-Isopropyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl N-dodecylglycinate [ACD/IUPAC Name]
6a-Isopropyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl-N-dodecylglycinat [German] [ACD/IUPAC Name]
Glycine, N-dodecyl-, 1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydro-6a-(1-methylethyl)-1-oxotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl ester [ACD/Index Name]
N-Dodécylglycinate de 6a-isopropyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodécahydrotrisoxiréno[6,7:8a,9:4b,5]phénanthro[1,2-c]furan-6-yle [French] [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: 701.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.0±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 70.20
ACD/KOC (pH 5.5): 200.00
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 2928.57
ACD/KOC (pH 7.4): 8344.06
Polar Surface Area: 102 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 465.5±5.0 cm3

Click to predict properties on the Chemicalize site


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