ChemSpider 2D Image | 3-{[(3Z,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}-3-oxopropanoic acid | C27H36O8

3-{[(3Z,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}-3-oxopropanoic acid

  • Molecular FormulaC27H36O8
  • Average mass488.570 Da
  • Monoisotopic mass488.241028 Da
  • ChemSpider ID31111754

  • 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

3-{[(3Z,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}-3-oxopropanoic acid [ACD/IUPAC Name]
3-{[(3Z,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}-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-{[(3Z,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}-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[(3Z,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]
7-o-malonyl macrolactin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 241.3±26.4 °C
Index of Refraction: 1.563
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

Click to predict properties on the Chemicalize site


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