ChemSpider 2D Image | (18Z,29S,30Z)-18,30-Tritriacontadiene-2,4,32-triyne-1,6,29-triol | C33H52O3

(18Z,29S,30Z)-18,30-Tritriacontadiene-2,4,32-triyne-1,6,29-triol

  • Molecular FormulaC33H52O3
  • Average mass496.764 Da
  • Monoisotopic mass496.391632 Da
  • ChemSpider ID40256746

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(18Z,29S,30Z)-18,30-Tritriacontadien-2,4,32-triin-1,6,29-triol [German] [ACD/IUPAC Name]
(18Z,29S,30Z)-18,30-Tritriacontadiene-2,4,32-triyne-1,6,29-triol [ACD/IUPAC Name]
(18Z,29S,30Z)-18,30-Tritriacontadiène-2,4,32-triyne-1,6,29-triol [French] [ACD/IUPAC Name]
18,30-Tritriacontadiene-2,4,32-triyne-1,6,29-triol, (18Z,29S,30Z)- [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: 640.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 253.4±26.1 °C
Index of Refraction: 1.521
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 1
ACD/LogP: 11.50
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 974985.00
ACD/LogD (pH 7.4): 8.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 974971.06
Polar Surface Area: 61 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 504.1±3.0 cm3

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