Found 14 results

Search term: MF = 'C_{39}H_{60}O_{9}'
ChemSpider 2D Image | 4,4'-{[(1S,4S,7S,9beta,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diyl]bis(oxy)}bis(4-oxobutanoic acid) | C39H60O9

4,4'-{[(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diyl]bis(oxy)}bis(4-oxobutanoic acid)

  • Molecular FormulaC39H60O9
  • Average mass672.888 Da
  • Monoisotopic mass672.423706 Da
  • ChemSpider ID76785687

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4,4'-{[(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1,23-diyl]bis(oxy)}bis(4-oxobutansäure) [German] [ACD/IUPAC Name]
4,4'-{[(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,23-diyl]bis(oxy)}bis(4-oxobutanoic acid) [ACD/IUPAC Name]
Acide 4,4'-{[(1S,4S,7S,9β,23R)-7-méthoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-diène-1,23-diyl]bis(oxy)}bis(4-oxobutanoïque) [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3β,7β,9β,10α,17β)-17-[(1R,3R)-3-(3-carboxy-1-oxopropoxy)-1,5-dimethyl-4-hexen-1-yl]-7-methoxy-4,4,9,14-tetramethylestr-5-en-3-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: 740.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 216.5±26.4 °C
Index of Refraction: 1.541
Molar Refractivity: 182.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 4880.40
ACD/KOC (pH 5.5): 3431.62
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 17.49
ACD/KOC (pH 7.4): 12.30
Polar Surface Area: 136 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 580.4±5.0 cm3

Click to predict properties on the Chemicalize site


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