ChemSpider 2D Image | Benzyl (3beta)-3-[(N,N-diethylglycyl)oxy]olean-12-en-28-oate | C43H65NO4

Benzyl (3β)-3-[(N,N-diethylglycyl)oxy]olean-12-en-28-oate

  • Molecular FormulaC43H65NO4
  • Average mass659.981 Da
  • Monoisotopic mass659.491333 Da
  • ChemSpider ID26608281

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(N,N-Diéthylglycyl)oxy]oléan-12-én-28-oate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3β)-3-[(N,N-diethylglycyl)oxy]olean-12-en-28-oate [ACD/IUPAC Name]
Benzyl-(3β)-3-[(N,N-diethylglycyl)oxy]olean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[2-(diethylamino)acetyl]oxy]-, phenylmethyl ester, (3β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1796871/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.3±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 195.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.22
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 237777.44
ACD/LogD (pH 7.4): 11.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 605.8±5.0 cm3

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