ChemSpider 2D Image | 5,5'-Dimethyl 1,1'-[(1R,2E,6S,10E,11aS,13S,14aR)-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecine-1,13-diyl] dipentanedioate | C28H40O10

5,5'-Dimethyl 1,1'-[(1R,2E,6S,10E,11aS,13S,14aR)-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecine-1,13-diyl] dipentanedioate

  • Molecular FormulaC28H40O10
  • Average mass536.611 Da
  • Monoisotopic mass536.262146 Da
  • ChemSpider ID9838540

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5,5'-Dimethyl 1,1'-[(1R,2E,6S,10E,11aS,13S,14aR)-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecine-1,13-diyl] dipentanedioate [ACD/IUPAC Name]
5,5'-Dimethyl-1,1'-[(1R,2E,6S,10E,11aS,13S,14aR)-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-1,13-diyl]-dipentandioat [German] [ACD/IUPAC Name]
Dipentanedioate de 5,5'-diméthyle et de 1,1'-[(1R,2E,6S,10E,11aS,13S,14aR)-6-méthyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-décahydro-4H-cyclopenta[f]oxacyclotridécine-1,13-diyle] [French] [ACD/IUPAC Name]
Pentanedioic acid, 1,1'-[(1R,2E,6S,10E,11aS,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-decahydro-6-methyl-4-oxo-4H-cyclopent[f]oxacyclotridecin-1,13-diyl] 5,5'-dimethyl ester [ACD/Index Name]
brefeldin A 4,7-O-di(methyl glutarate)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 260.8±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 803.85
ACD/KOC (pH 5.5): 4179.52
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 803.85
ACD/KOC (pH 7.4): 4179.52
Polar Surface Area: 132 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 453.2±5.0 cm3

Click to predict properties on the Chemicalize site


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