ChemSpider 2D Image | trichodimerol | C28H32O8

trichodimerol

  • Molecular FormulaC28H32O8
  • Average mass496.549 Da
  • Monoisotopic mass496.209717 Da
  • ChemSpider ID27023003
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(1S,6Z,13Z)-3,10-Dihydroxy-6,13-bis[(2E,4E)-1-hydroxy-2,4-hexadien-1-yliden]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradecan-5,12-dion [German] [ACD/IUPAC Name]
(1S,6Z,13Z)-3,10-Dihydroxy-6,13-bis[(2E,4E)-1-hydroxy-2,4-hexadien-1-ylidene]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradecane-5,12-dione [ACD/IUPAC Name]
(1S,6Z,13Z)-3,10-Dihydroxy-6,13-bis[(2E,4E)-1-hydroxy-2,4-hexadién-1-ylidène]-1,4,8,11-tétraméthyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tétradécane-5,12-dione [French] [ACD/IUPAC Name]
trichodimerol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 237.3±26.4 °C
Index of Refraction: 1.688
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 164.52
ACD/KOC (pH 5.5): 537.75
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 10.32
Polar Surface Area: 134 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

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