ChemSpider 2D Image | Bis{2-[(1S,5R,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl]ethyl} succinate | C38H58O12

Bis{2-[(1S,5R,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]ethyl} succinate

  • Molecular FormulaC38H58O12
  • Average mass706.860 Da
  • Monoisotopic mass706.392822 Da
  • ChemSpider ID8372677

  • defined stereocentres - 12 of 16 defined stereocentres

More details:

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

Bis{2-[(1S,5R,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]ethyl} succinate [ACD/IUPAC Name]
Bis{2-[(1S,5R,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]ethyl}-succinat [German] [ACD/IUPAC Name]
Butanedioic acid, bis[2-[(3S,6R,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]ethyl] ester [ACD/Index Name]
Succinate de bis{2-[(1S,5R,9R,10R,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yl]éthyle} [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 283.8±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 179.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 85870.33
ACD/KOC (pH 5.5): 118365.34
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 85870.33
ACD/KOC (pH 7.4): 118365.34
Polar Surface Area: 126 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 559.4±5.0 cm3

Click to predict properties on the Chemicalize site


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