ChemSpider 2D Image | (16Z,27E,29R)-16,27-Hentriacontadiene-2,4,30-triyne-1,6,29-triol | C31H48O3

(16Z,27E,29R)-16,27-Hentriacontadiene-2,4,30-triyne-1,6,29-triol

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID40256747

  • 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

(16Z,27E,29R)-16,27-Hentriacontadien-2,4,30-triin-1,6,29-triol [German] [ACD/IUPAC Name]
(16Z,27E,29R)-16,27-Hentriacontadiene-2,4,30-triyne-1,6,29-triol [ACD/IUPAC Name]
(16Z,27E,29R)-16,27-Héntriacontadiène-2,4,30-triyne-1,6,29-triol [French] [ACD/IUPAC Name]
16,27-Hentriacontadiene-2,4,30-triyne-1,6,29-triol, (16Z,27E,29R)- [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: 615.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 247.5±26.1 °C
Index of Refraction: 1.524
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 10.13
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 484997.00
ACD/KOC (pH 5.5): 408717.75
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 484985.81
ACD/KOC (pH 7.4): 408708.31
Polar Surface Area: 61 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 471.1±3.0 cm3

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