ChemSpider 2D Image | (6R,15S)-2,4,16-Pentacosatriyne-1,6,15-triol | C25H40O3

(6R,15S)-2,4,16-Pentacosatriyne-1,6,15-triol

  • Molecular FormulaC25H40O3
  • Average mass388.583 Da
  • Monoisotopic mass388.297760 Da
  • ChemSpider ID40256744

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,15S)-2,4,16-Pentacosatriin-1,6,15-triol [German] [ACD/IUPAC Name]
(6R,15S)-2,4,16-Pentacosatriyne-1,6,15-triol [ACD/IUPAC Name]
(6R,15S)-2,4,16-Pentacosatriyne-1,6,15-triol [French] [ACD/IUPAC Name]
2,4,16-Pentacosatriyne-1,6,15-triol, (6R,15S)- [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: 557.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 236.7±21.9 °C
Index of Refraction: 1.518
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 117987.63
ACD/KOC (pH 5.5): 148593.05
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 117985.69
ACD/KOC (pH 7.4): 148590.61
Polar Surface Area: 61 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 384.4±3.0 cm3

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