ChemSpider 2D Image | Ethyl (3beta)-11-oxo-3-(D-tryptophyloxy)olean-12-en-30-oate | C43H60N2O5

Ethyl (3β)-11-oxo-3-(D-tryptophyloxy)olean-12-en-30-oate

  • Molecular FormulaC43H60N2O5
  • Average mass684.947 Da
  • Monoisotopic mass684.450195 Da
  • ChemSpider ID34218279

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-11-Oxo-3-(D-tryptophyloxy)oléan-12-én-30-oate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3β)-11-oxo-3-(D-tryptophyloxy)olean-12-en-30-oate [ACD/IUPAC Name]
Ethyl-(3β)-11-oxo-3-(D-tryptophyloxy)olean-12-en-30-oat [German] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropoxy]-11-oxo-, ethyl ester, (3β)- [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: 749.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 407.0±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 197.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.44
ACD/LogD (pH 5.5): 7.45
ACD/BCF (pH 5.5): 110540.25
ACD/KOC (pH 5.5): 49062.71
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1341386.50
Polar Surface Area: 111 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 580.7±5.0 cm3

Click to predict properties on the Chemicalize site


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