ChemSpider 2D Image | 7-O-succinyl macrolactin F | C28H38O8

7-O-succinyl macrolactin F

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID10242630

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-{[(3Z,5E,8S,9E,11Z,14S,19E,24R)-14-Hydroxy-24-methyl-2,16-dioxooxacyclotetracosa-3,5,9,11,19-pentaen-8-yl]oxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(3Z,5E,8S,9E,11Z,14S,19E,24R)-14-Hydroxy-24-methyl-2,16-dioxooxacyclotetracosa-3,5,9,11,19-pentaen-8-yl]oxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
7-O-succinyl macrolactin F
Acide 4-{[(3Z,5E,8S,9E,11Z,14S,19E,24R)-14-hydroxy-24-méthyl-2,16-dioxooxacyclotétracosa-3,5,9,11,19-pentaén-8-yl]oxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3Z,5E,8S,9E,11Z,14S,19E,24R)-14-hydroxy-24-methyl-2,16-dioxooxacyclotetracosa-3,5,9,11,19-pentaen-8-yl] ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 238.8±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 23.81
ACD/KOC (pH 5.5): 154.04
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.49
Polar Surface Area: 127 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 430.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement