ChemSpider 2D Image | 5(S)-HETE lactone | C20H30O2

5(S)-HETE lactone

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID29341893

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-[(1E,3Z,6Z,9Z)-1,3,6,9-Pentadecatetraen-1-yl]tetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-6-[(1E,3Z,6Z,9Z)-1,3,6,9-Pentadecatetraen-1-yl]tetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-6-[(1E,3Z,6Z,9Z)-1,3,6,9-Pentadécatétraén-1-yl]tétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
127708-42-3 [RN]
2H-Pyran-2-one, tetrahydro-6-[(1E,3Z,6Z,9Z)-1,3,6,9-pentadecatetraen-1-yl]-, (6S)- [ACD/Index Name]
5(S)-HETE lactone
(6S)-6-[(1E,3Z,6Z,9Z)-PENTADECA-1,3,6,9-TETRAEN-1-YL]OXAN-2-ONE
(6S)-6-[(1E,3Z,6Z,9Z)-pentadeca-1,3,6,9-tetraenyl]oxan-2-one
[127708-42-3] [RN]
5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid, 1,5-lactone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 445.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 188.6±23.1 °C
Index of Refraction: 1.536
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13685.04
ACD/KOC (pH 5.5): 31791.65
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13685.04
ACD/KOC (pH 7.4): 31791.65
Polar Surface Area: 26 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 308.8±3.0 cm3

Click to predict properties on the Chemicalize site


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