ChemSpider 2D Image | (3S,6Z,8E,11S)-3-[(1E,3E,5E)-2,5-Dimethyl-7-(4-morpholinyl)-1,3,5-heptatrien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione | C32H44N2O5S

(3S,6Z,8E,11S)-3-[(1E,3E,5E)-2,5-Dimethyl-7-(4-morpholinyl)-1,3,5-heptatrien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

  • Molecular FormulaC32H44N2O5S
  • Average mass568.767 Da
  • Monoisotopic mass568.297119 Da
  • ChemSpider ID31130148

  • 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

(3S,6Z,8E,11S)-3-[(1E,3E,5E)-2,5-Dimethyl-7-(4-morpholinyl)-1,3,5-heptatrien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraen-5,13-dion [German] [ACD/IUPAC Name]
(3S,6Z,8E,11S)-3-[(1E,3E,5E)-2,5-Dimethyl-7-(4-morpholinyl)-1,3,5-heptatrien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione [ACD/IUPAC Name]
(3S,6Z,8E,11S)-3-[(1E,3E,5E)-2,5-Diméthyl-7-(4-morpholinyl)-1,3,5-heptatrién-1-yl]-9,11-diméthyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]hénicosa-1(21),6,8,18-tétraène-5,13-dione [French] [ACD/IUPAC Name]
4,12-Dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraene-5,13-dione, 3-[(1E,3E,5E)-2,5-dimethyl-7-(4-morpholinyl)-1,3,5-heptatrien-1-yl]-9,11-dimethyl-, (3S,6Z,8E,11S)- [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: 760.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.5±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 882.34
ACD/KOC (pH 5.5): 2582.62
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5650.01
ACD/KOC (pH 7.4): 16537.75
Polar Surface Area: 106 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 517.8±3.0 cm3

Click to predict properties on the Chemicalize site


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