ChemSpider 2D Image | (3S,4E,6R,15Z,28R,29E,31S)-4,15,29-Tritriacontatriene-1,32-diyne-3,6,28,31-tetrol | C33H54O4

(3S,4E,6R,15Z,28R,29E,31S)-4,15,29-Tritriacontatriene-1,32-diyne-3,6,28,31-tetrol

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID44210845

  • 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,28R,29E,31S)-4,15,29-Tritriacontatrien-1,32-diin-3,6,28,31-tetrol [German] [ACD/IUPAC Name]
(3S,4E,6R,15Z,28R,29E,31S)-4,15,29-Tritriacontatriene-1,32-diyne-3,6,28,31-tetrol [ACD/IUPAC Name]
(3S,4E,6R,15Z,28R,29E,31S)-4,15,29-Tritriacontatriène-1,32-diyne-3,6,28,31-tétrol [French] [ACD/IUPAC Name]
4,15,29-Tritriacontatriene-1,32-diyne-3,6,28,31-tetrol, (3S,4E,6R,15Z,28R,29E,31S)- [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: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 256.2±26.1 °C
Index of Refraction: 1.523
Molar Refractivity: 156.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50252.93
ACD/KOC (pH 5.5): 80662.83
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 50251.50
ACD/KOC (pH 7.4): 80660.52
Polar Surface Area: 81 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 513.2±3.0 cm3

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