ChemSpider 2D Image | (1beta,3beta,11alpha)-11-Hydroxy-1-[(2-hydroxy-2-propanyl)oxy]olean-12-en-3-yl acetate | C35H58O5

(1β,3β,11α)-11-Hydroxy-1-[(2-hydroxy-2-propanyl)oxy]olean-12-en-3-yl acetate

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID9716120

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1β,3β,11α)-11-Hydroxy-1-[(2-hydroxy-2-propanyl)oxy]olean-12-en-3-yl acetate [ACD/IUPAC Name]
(1β,3β,11α)-11-Hydroxy-1-[(2-hydroxy-2-propanyl)oxy]olean-12-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1β,3β,11α)-11-hydroxy-1-[(2-hydroxy-2-propanyl)oxy]oléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-ene-3,11-diol, 1-(1-hydroxy-1-methylethoxy)-, 3-acetate, (1β,3β,11α)- [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: 577.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 166.4±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.90
ACD/LogD (pH 5.5): 8.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1105193.75
ACD/LogD (pH 7.4): 8.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1105191.38
Polar Surface Area: 76 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 508.8±5.0 cm3

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