ChemSpider 2D Image | (3S,3aR,4S,6aR)-4-Hydroxy-3-[(1Z,4Z,7Z,10Z)-1,4,7,10-tridecatetraen-1-yl]hexahydro-1H-cyclopenta[c]furan-1-one | C20H28O3

(3S,3aR,4S,6aR)-4-Hydroxy-3-[(1Z,4Z,7Z,10Z)-1,4,7,10-tridecatetraen-1-yl]hexahydro-1H-cyclopenta[c]furan-1-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID28283604

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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(3S,3aR,4S,6aR)-4-Hydroxy-3-[(1Z,4Z,7Z,10Z)-1,4,7,10-tridecatetraen-1-yl]hexahydro-1H-cyclopenta[c]furan-1-on [German] [ACD/IUPAC Name]
(3S,3aR,4S,6aR)-4-Hydroxy-3-[(1Z,4Z,7Z,10Z)-1,4,7,10-tridecatetraen-1-yl]hexahydro-1H-cyclopenta[c]furan-1-one [ACD/IUPAC Name]
(3S,3aR,4S,6aR)-4-Hydroxy-3-[(1Z,4Z,7Z,10Z)-1,4,7,10-tridécatétraén-1-yl]hexahydro-1H-cyclopenta[c]furan-1-one [French] [ACD/IUPAC Name]
1H-Cyclopenta[c]furan-1-one, hexahydro-4-hydroxy-3-[(1Z,4Z,7Z,10Z)-1,4,7,10-tridecatetraen-1-yl]-, (3S,3aR,4S,6aR)- [ACD/Index Name]
ent-bacillariolide II

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

Density: 1.1±0.1 g/cm3
Boiling Point: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 192.2±21.5 °C
Index of Refraction: 1.577
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.93
ACD/KOC (pH 5.5): 2034.10
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.93
ACD/KOC (pH 7.4): 2034.10
Polar Surface Area: 47 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

Click to predict properties on the Chemicalize site


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