Found 1 result

Search term: C86H170O6 (Found by molecular formula)
ChemSpider 2D Image | [(20R,56R)-4,8,12,16,25,29,33,37,40,44,48,52,61,65,69-Pentadecamethyl-19,22,55,58-tetraoxabicyclo[39.31.1]triheptacontane-20,56-diyl]dimethanol | C86H170O6

[(20R,56R)-4,8,12,16,25,29,33,37,40,44,48,52,61,65,69-Pentadecamethyl-19,22,55,58-tetraoxabicyclo[39.31.1]triheptacontane-20,56-diyl]dimethanol

  • Molecular FormulaC86H170O6
  • Average mass1300.266 Da
  • Monoisotopic mass1299.299683 Da
  • ChemSpider ID24608994

  • defined stereocentres - 2 of 19 defined stereocentres

More details:

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

[(20R,56R)-4,8,12,16,25,29,33,37,40,44,48,52,61,65,69-Pentadecamethyl-19,22,55,58-tetraoxabicyclo[39.31.1]triheptacontan-20,56-diyl]dimethanol [German] [ACD/IUPAC Name]
[(20R,56R)-4,8,12,16,25,29,33,37,40,44,48,52,61,65,69-Pentadecamethyl-19,22,55,58-tetraoxabicyclo[39.31.1]triheptacontane-20,56-diyl]dimethanol [ACD/IUPAC Name]
[(20R,56R)-4,8,12,16,25,29,33,37,40,44,48,52,61,65,69-Pentadécaméthyl-19,22,55,58-tétraoxabicyclo[39.31.1]triheptacontane-20,56-diyl]diméthanol [French] [ACD/IUPAC Name]
19,22,55,58-Tetraoxabicyclo[39.31.1]triheptacontane-20,56-dimethanol, 4,8,12,16,25,29,33,37,40,44,48,52,61,65,69-pentadecamethyl-, (20R,56R)- [ACD/Index Name]
H-shaped caldarchaeol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 1090.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 181.0±6.0 kJ/mol
Flash Point: 613.1±27.3 °C
Index of Refraction: 1.428
Molar Refractivity: 405.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 38.39
ACD/LogD (pH 5.5): 33.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 33.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 77 Å2
Polarizability: 160.9±0.5 10-24cm3
Surface Tension: 25.4±3.0 dyne/cm
Molar Volume: 1577.1±3.0 cm3

Click to predict properties on the Chemicalize site


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