ChemSpider 2D Image | (3S,4E,14S,15Z,26E,28S)-4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,14,28-triol | C30H40O3

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

  • Molecular FormulaC30H40O3
  • Average mass448.637 Da
  • Monoisotopic mass448.297760 Da
  • ChemSpider ID34981460

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 604.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 248.4±26.1 °C
Index of Refraction: 1.548
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8611.88
ACD/KOC (pH 5.5): 22820.92
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8611.51
ACD/KOC (pH 7.4): 22819.94
Polar Surface Area: 61 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 432.4±3.0 cm3

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