ChemSpider 2D Image | [(9S,12S,16S,24S,28R,31R,35S,43S,46S,50S,58S,62R,65R)-9,16,24,28,31,35,43,50,58,62,65-Undecamethyl-11,14,45,48-tetraoxahexacyclo[63.3.1.1~2,5~.1~20,23~.1~36,39~.1~54,57~]triheptacontane-12,46-diyl]dim ethanol | C82H154O6

[(9S,12S,16S,24S,28R,31R,35S,43S,46S,50S,58S,62R,65R)-9,16,24,28,31,35,43,50,58,62,65-Undecamethyl-11,14,45,48-tetraoxahexacyclo[63.3.1.12,5.120,23.136,39.154,57]triheptacontane-12,46-diyl]dim ethanol

  • Molecular FormulaC82H154O6
  • Average mass1236.097 Da
  • Monoisotopic mass1235.174561 Da
  • ChemSpider ID24822160

  • defined stereocentres - 13 of 22 defined stereocentres

More details:

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

[(9S,12S,16S,24S,28R,31R,35S,43S,46S,50S,58S,62R,65R)-9,16,24,28,31,35,43,50,58,62,65-Undecamethyl-11,14,45,48-tetraoxahexacyclo[63.3.1.12,5.120,23.136,39.154,57]triheptacontan-12,46-diyl]dime 
thanol [German] [ACD/IUPAC Name]
[(9S,12S,16S,24S,28R,31R,35S,43S,46S,50S,58S,62R,65R)-9,16,24,28,31,35,43,50,58,62,65-Undecamethyl-11,14,45,48-tetraoxahexacyclo[63.3.1.12,5.120,23.136,39.154,57]triheptacontane-12,46-diyl]dim 
ethanol [ACD/IUPAC Name]
[(9S,12S,16S,24S,28R,31R,35S,43S,46S,50S,58S,62R,65R)-9,16,24,28,31,35,43,50,58,62,65-Undécaméthyl-11,14,45,48-tétraoxahexacyclo[63.3.1.12,5.120,23.136,39.154,57]triheptacontane-12,46-diyl]dim 
éthanol [French] [ACD/IUPAC Name]
11,14,45,48-Tetraoxahexacyclo[63.3.1.12,5.120,23.136,39.154,57]triheptacontane-12,46-dimethanol, 9,16,24,28,31,35,43,50,58,62,65-undecamethyl-, (9S,12S,16S,24S,28R,31R,35S,43S,46S,50S,58S,62R,
 65R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 1065.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 176.7±6.0 kJ/mol
Flash Point: 598.3±27.3 °C
Index of Refraction: 1.448
Molar Refractivity: 379.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 33.56
ACD/LogD (pH 5.5): 30.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 30.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 77 Å2
Polarizability: 150.3±0.5 10-24cm3
Surface Tension: 28.2±3.0 dyne/cm
Molar Volume: 1416.0±3.0 cm3

Click to predict properties on the Chemicalize site


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