ChemSpider 2D Image | 24-hydroxy-trichodimerol | C28H32O9

24-hydroxy-trichodimerol

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID92172174

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,4R,6Z,7S,8S,10R,11R,13Z,14S)-6-[(2E,4E)-1,6-Dihydroxy-2,4-hexadien-1-yliden]-3,10-dihydroxy-13-[(2E,4E)-1-hydroxy-2,4-hexadien-1-yliden]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.0 4,14.07,11]tetradecan-5,12-dion [German] [ACD/IUPAC Name]
(1S,3R,4R,6Z,7S,8S,10R,11R,13Z,14S)-6-[(2E,4E)-1,6-Dihydroxy-2,4-hexadien-1-ylidene]-3,10-dihydroxy-13-[(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,3R,4R,6Z,7S,8S,10R,11R,13Z,14S)-6-[(2E,4E)-1,6-Dihydroxy-2,4-hexadién-1-ylidène]-3,10-dihydroxy-13-[(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]
24-hydroxy-trichodimerol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.8±6.0 kJ/mol
Flash Point: 254.9±26.4 °C
Index of Refraction: 1.705
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 27.30
ACD/KOC (pH 5.5): 148.70
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 154 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 339.8±3.0 cm3

Click to predict properties on the Chemicalize site


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