Found 5 results

Search term: YFHYWHWBWQBXAP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6R)-6-{(1R,2R,3S,5S)-2-[(1E,4Z,6E,8S)-8-Hydroxy-1,4,6-decatrien-1-yl]-6-oxabicyclo[3.1.0]hex-3-yl}tetrahydro-2H-pyran-2-one | C20H28O4

(6R)-6-{(1R,2R,3S,5S)-2-[(1E,4Z,6E,8S)-8-Hydroxy-1,4,6-decatrien-1-yl]-6-oxabicyclo[3.1.0]hex-3-yl}tetrahydro-2H-pyran-2-one

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID28283100

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(6R)-6-{(1R,2R,3S,5S)-2-[(1E,4Z,6E,8S)-8-Hydroxy-1,4,6-decatrien-1-yl]-6-oxabicyclo[3.1.0]hex-3-yl}tetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-{(1R,2R,3S,5S)-2-[(1E,4Z,6E,8S)-8-Hydroxy-1,4,6-decatrien-1-yl]-6-oxabicyclo[3.1.0]hex-3-yl}tetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(6R)-6-{(1R,2R,3S,5S)-2-[(1E,4Z,6E,8S)-8-Hydroxy-1,4,6-décatrién-1-yl]-6-oxabicyclo[3.1.0]hex-3-yl}tétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, tetrahydro-6-[(1R,2R,3S,5S)-2-[(1E,4Z,6E,8S)-8-hydroxy-1,4,6-decatrien-1-yl]-6-oxabicyclo[3.1.0]hex-3-yl]-, (6R)- [ACD/Index Name]
agardhilactone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.3±6.0 kJ/mol
Flash Point: 185.8±23.6 °C
Index of Refraction: 1.589
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.15
ACD/KOC (pH 5.5): 497.94
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.15
ACD/KOC (pH 7.4): 497.94
Polar Surface Area: 59 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

Click to predict properties on the Chemicalize site


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