ChemSpider 2D Image | (1R,6S)-1-[(2R,3S)-3-Heptyl-2-oxiranyl]-2,4-octadiyne-1,6-diol | C17H26O3

(1R,6S)-1-[(2R,3S)-3-Heptyl-2-oxiranyl]-2,4-octadiyne-1,6-diol

  • Molecular FormulaC17H26O3
  • Average mass278.387 Da
  • Monoisotopic mass278.188202 Da
  • ChemSpider ID24672119

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(1R,6S)-1-[(2R,3S)-3-Heptyl-2-oxiranyl]-2,4-octadiin-1,6-diol [German] [ACD/IUPAC Name]
(1R,6S)-1-[(2R,3S)-3-Heptyl-2-oxiranyl]-2,4-octadiyne-1,6-diol [ACD/IUPAC Name]
(1R,6S)-1-[(2R,3S)-3-Heptyl-2-oxiranyl]-2,4-octadiyne-1,6-diol [French] [ACD/IUPAC Name]
2,4-Octadiyne-1,6-diol, 1-[(2R,3S)-3-heptyloxiranyl]-, (1R,6S)- [ACD/Index Name]
OPLOXYNE A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 213.7±24.6 °C
Index of Refraction: 1.520
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3321.29
ACD/KOC (pH 5.5): 11538.40
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3321.14
ACD/KOC (pH 7.4): 11537.87
Polar Surface Area: 53 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

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