Found 1 result

Search term: 78442799 (Found by CSID)
ChemSpider 2D Image | (2R,8R,13R,19R)-8,19-Bis(4-hydroxybutyl)-2,13-dimethyltricyclo[18.2.2.2~9,12~]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol | C36H56O6

(2R,8R,13R,19R)-8,19-Bis(4-hydroxybutyl)-2,13-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol

  • Molecular FormulaC36H56O6
  • Average mass584.826 Da
  • Monoisotopic mass584.407715 Da
  • ChemSpider ID78442799

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,8R,13R,19R)-8,19-Bis(4-hydroxybutyl)-2,13-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaen-10,21,24,26-tetrol [German] [ACD/IUPAC Name]
(2R,8R,13R,19R)-8,19-Bis(4-hydroxybutyl)-2,13-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol [ACD/IUPAC Name]
(2R,8R,13R,19R)-8,19-Bis(4-hydroxybutyl)-2,13-diméthyltricyclo[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, 8,19-bis(4-hydroxybutyl)-2,13-dimethyl-, (2R,8R,13R,19R)- [ACD/Index Name]
Merocyclophane D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 811.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 324.5±27.5 °C
Index of Refraction: 1.535
Molar Refractivity: 170.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 928532.88
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 921677.75
Polar Surface Area: 121 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 548.8±3.0 cm3

Click to predict properties on the Chemicalize site


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