ChemSpider 2D Image | (2S,5R,6S,2'R,5'R,6'S)-2,2'-(2R,5R)-Tetrahydrofuran-2,5-diylbis{6-[(3R)-3,4-dimethyl-4-penten-1-yl]-2,5,6-trimethyltetrahydro-2H-pyran} | C34H60O3

(2S,5R,6S,2'R,5'R,6'S)-2,2'-(2R,5R)-Tetrahydrofuran-2,5-diylbis{6-[(3R)-3,4-dimethyl-4-penten-1-yl]-2,5,6-trimethyltetrahydro-2H-pyran}

  • Molecular FormulaC34H60O3
  • Average mass516.838 Da
  • Monoisotopic mass516.454224 Da
  • ChemSpider ID552440

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,5R,6S,2'R,5'R,6'S)-2,2'-(2R,5R)-Tetrahydrofuran-2,5-diylbis{6-[(3R)-3,4-dimethyl-4-penten-1-yl]-2,5,6-trimethyltetrahydro-2H-pyran} [ACD/IUPAC Name]
(2S,5R,6S,2'R,5'R,6'S)-2,2'-(2R,5R)-Tetrahydrofuran-2,5-diylbis{6-[(3R)-3,4-dimethyl-4-penten-1-yl]-2,5,6-trimethyltetrahydro-2H-pyran} [German] [ACD/IUPAC Name]
(2S,5R,6S,2'R,5'R,6'S)-2,2'-(2R,5R)-Tétrahydrofurane-2,5-diylbis{6-[(3R)-3,4-diméthyl-4-pentén-1-yl]-2,5,6-triméthyltétrahydro-2H-pyrane} [French] [ACD/IUPAC Name]
2H-Pyran, 2,2'-[(2R,5R)-tetrahydro-2,5-furandiyl]bis[6-[(3R)-3,4-dimethyl-4-penten-1-yl]tetrahydro-2,5,6-trimethyl-, (2S,5R,6S,2'R,5'R,6'S)- [ACD/Index Name]
botryolin B
rel-(2R,5R,6S,2'S,5'R,6'S)-2,2'-tetrahydrofuran-2,5-diylbis[6-(3,4-dimethylpent-4-en-1-yl)-2,5,6-trimethyltetrahydro-2H-pyran]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 545.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 188.3±20.5 °C
Index of Refraction: 1.468
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 10.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7437901.50
ACD/LogD (pH 7.4): 10.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7437901.50
Polar Surface Area: 28 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 566.5±3.0 cm3

Click to predict properties on the Chemicalize site


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