ChemSpider 2D Image | (3S,6E,8R,9S,10R)-8,9-Dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl (2E,4E)-2,4-hexadienoate | C18H26O6

(3S,6E,8R,9S,10R)-8,9-Dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl (2E,4E)-2,4-hexadienoate

  • Molecular FormulaC18H26O6
  • Average mass338.395 Da
  • Monoisotopic mass338.172943 Da
  • ChemSpider ID24691772

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4E)-2,4-Hexadiénoate de (3S,6E,8R,9S,10R)-8,9-dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxécin-3-yle [French] [ACD/IUPAC Name]
(3S,6E,8R,9S,10R)-8,9-Dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl (2E,4E)-2,4-hexadienoate [ACD/IUPAC Name]
(3S,6E,8R,9S,10R)-8,9-Dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl-(2E,4E)-2,4-hexadienoat [German] [ACD/IUPAC Name]
2,4-Hexadienoic acid, (3S,6E,8R,9S,10R)-3,4,5,8,9,10-hexahydro-8,9-dihydroxy-2-oxo-10-propyl-2H-oxecin-3-yl ester, (2E,4E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463173/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 178.8±23.6 °C
Index of Refraction: 1.532
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.51
ACD/KOC (pH 5.5): 323.38
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.51
ACD/KOC (pH 7.4): 323.38
Polar Surface Area: 93 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 289.6±5.0 cm3

Click to predict properties on the Chemicalize site


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