ChemSpider 2D Image | (3S,4E,14R,15Z,17R,26E,28S)-4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,14,17,28-tetrol | C30H40O4

(3S,4E,14R,15Z,17R,26E,28S)-4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,14,17,28-tetrol

  • Molecular FormulaC30H40O4
  • Average mass464.636 Da
  • Monoisotopic mass464.292664 Da
  • ChemSpider ID58197102

  • 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,14R,15Z,17R,26E,28S)-4,15,26-Triacontatrien-1,12,18,29-tetrain-3,14,17,28-tetrol [German] [ACD/IUPAC Name]
(3S,4E,14R,15Z,17R,26E,28S)-4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,14,17,28-tetrol [ACD/IUPAC Name]
(3S,4E,14R,15Z,17R,26E,28S)-4,15,26-Triacontatriène-1,12,18,29-tétrayne-3,14,17,28-tétrol [French] [ACD/IUPAC Name]
4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,14,17,28-tetrol, (3S,4E,14R,15Z,17R,26E,28S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 266.0±26.1 °C
Index of Refraction: 1.559
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1711.20
ACD/KOC (pH 5.5): 7177.83
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1711.04
ACD/KOC (pH 7.4): 7177.18
Polar Surface Area: 81 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 430.3±3.0 cm3

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