ChemSpider 2D Image | (2R,8S,13R,19S)-8-Butyl-2,13-dimethyl-19-propyltricyclo[18.2.2.2~9,12~]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol | C35H54O4

(2R,8S,13R,19S)-8-Butyl-2,13-dimethyl-19-propyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol

  • Molecular FormulaC35H54O4
  • Average mass538.801 Da
  • Monoisotopic mass538.402222 Da
  • ChemSpider ID129300172

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,8S,13R,19S)-8-Butyl-2,13-dimethyl-19-propyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaen-10,21,24,26-tetrol [German] [ACD/IUPAC Name]
(2R,8S,13R,19S)-8-Butyl-2,13-dimethyl-19-propyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol [ACD/IUPAC Name]
(2R,8S,13R,19S)-8-Butyl-2,13-diméthyl-19-propyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaène-10,21,24,26-tétrol [French] [ACD/IUPAC Name]
Tricyclo[18.2.2.29,12]hexacosa-9,11,20,22,23,25-hexaene-10,21,24,26-tetrol, 8-butyl-2,13-dimethyl-19-propyl-, (2R,8S,13R,19S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 733.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 295.2±26.1 °C
Index of Refraction: 1.520
Molar Refractivity: 163.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 12.90
ACD/LogD (pH 5.5): 11.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 81 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 537.3±3.0 cm3

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