Found 1 result

Search term: 25055357 (Found by CSID)
ChemSpider 2D Image | (2R,3S,8S,14S,19S)-8,19-Dibutyl-3,14-dimethyltricyclo[18.2.2.2~9,12~]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,21,24,26-pentol | C36H56O5

(2R,3S,8S,14S,19S)-8,19-Dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,21,24,26-pentol

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID25055357

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,8S,14S,19S)-8,19-Dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaen-2,10,21,24,26-pentol [German] [ACD/IUPAC Name]
(2R,3S,8S,14S,19S)-8,19-Dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,21,24,26-pentol [ACD/IUPAC Name]
(2R,3S,8S,14S,19S)-8,19-Dibutyl-3,14-diméthyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaène-2,10,21,24,26-pentol [French] [ACD/IUPAC Name]
Tricyclo[18.2.2.29,12]hexacosa-9,11,20,22,23,25-hexaene-2,10,21,24,26-pentol, 8,19-dibutyl-3,14-dimethyl-, (2R,3S,8S,14S,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: 775.0±59.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 309.4±27.2 °C
Index of Refraction: 1.527
Molar Refractivity: 169.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 11.59
ACD/LogD (pH 5.5): 9.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5410896.50
ACD/LogD (pH 7.4): 9.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5364101.00
Polar Surface Area: 101 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 550.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement