ChemSpider 2D Image | 4-{[(3E,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutanoic acid | C28H38O8

4-{[(3E,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutanoic acid

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID8776915
  • 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

4-{[(3E,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(3E,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(3E,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-méthyl-2-oxooxacyclotétracosa-3,5,9,11,17,19-hexaén-8-yl]oxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3E,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl] ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 745.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.0±6.0 kJ/mol
Flash Point: 242.2±26.4 °C
Index of Refraction: 1.560
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 9.65
ACD/KOC (pH 5.5): 80.73
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 130 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 425.0±5.0 cm3

Click to predict properties on the Chemicalize site






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