Found 21 results

Search term: MF = 'C_{42}H_{60}O_{6}'
ChemSpider 2D Image | 5-{[(3beta)-28-(Benzyloxy)-28-oxoolean-12-en-3-yl]oxy}-5-oxopentanoic acid | C42H60O6

5-{[(3β)-28-(Benzyloxy)-28-oxoolean-12-en-3-yl]oxy}-5-oxopentanoic acid

  • Molecular FormulaC42H60O6
  • Average mass660.922 Da
  • Monoisotopic mass660.438965 Da
  • ChemSpider ID31130542

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5-{[(3β)-28-(Benzyloxy)-28-oxoolean-12-en-3-yl]oxy}-5-oxopentanoic acid [ACD/IUPAC Name]
5-{[(3β)-28-(Benzyloxy)-28-oxoolean-12-en-3-yl]oxy}-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{[(3β)-28-(benzyloxy)-28-oxooléan-12-én-3-yl]oxy}-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, mono[(3β)-28-oxo-28-(phenylmethoxy)olean-12-en-3-yl] ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 709.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 205.5±26.4 °C
Index of Refraction: 1.566
Molar Refractivity: 188.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.19
ACD/LogD (pH 5.5): 10.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4122991.50
ACD/LogD (pH 7.4): 8.61
ACD/BCF (pH 7.4): 455600.94
ACD/KOC (pH 7.4): 64822.19
Polar Surface Area: 90 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 577.5±5.0 cm3

Click to predict properties on the Chemicalize site


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