ChemSpider 2D Image | 7-{[(3beta)-3-Hydroxy-28-oxoolean-12-en-28-yl]oxy}heptanoic acid | C37H60O5

7-{[(3β)-3-Hydroxy-28-oxoolean-12-en-28-yl]oxy}heptanoic acid

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID31148798

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

7-{[(3β)-3-Hydroxy-28-oxoolean-12-en-28-yl]oxy}heptanoic acid [ACD/IUPAC Name]
7-{[(3β)-3-Hydroxy-28-oxoolean-12-en-28-yl]oxy}heptansäure [German] [ACD/IUPAC Name]
Acide 7-{[(3β)-3-hydroxy-28-oxooléan-12-én-28-yl]oxy}heptanoïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-hydroxy-, 6-carboxyhexyl ester, (3β)- [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: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 193.8±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 167.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.61
ACD/LogD (pH 5.5): 9.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 981413.00
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 55469.45
ACD/KOC (pH 7.4): 15677.98
Polar Surface Area: 84 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 530.1±5.0 cm3

Click to predict properties on the Chemicalize site


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