ChemSpider 2D Image | (3S,4E,6R,15Z,27R,28E,30S)-4,15,28-Dotriacontatriene-1,31-diyne-3,6,27,30-tetrol | C32H52O4

(3S,4E,6R,15Z,27R,28E,30S)-4,15,28-Dotriacontatriene-1,31-diyne-3,6,27,30-tetrol

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID44210846

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4E,6R,15Z,27R,28E,30S)-4,15,28-Dotriacontatrien-1,31-diin-3,6,27,30-tetrol [German] [ACD/IUPAC Name]
(3S,4E,6R,15Z,27R,28E,30S)-4,15,28-Dotriacontatriene-1,31-diyne-3,6,27,30-tetrol [ACD/IUPAC Name]
(3S,4E,6R,15Z,27R,28E,30S)-4,15,28-Dotriacontatriène-1,31-diyne-3,6,27,30-tétrol [French] [ACD/IUPAC Name]
4,15,28-Dotriacontatriene-1,31-diyne-3,6,27,30-tetrol, (3S,4E,6R,15Z,27R,28E,30S)- [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: 641.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 254.8±26.1 °C
Index of Refraction: 1.525
Molar Refractivity: 152.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27231.17
ACD/KOC (pH 5.5): 52024.16
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27230.39
ACD/KOC (pH 7.4): 52022.68
Polar Surface Area: 81 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 496.7±3.0 cm3

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