ChemSpider 2D Image | Ethyl {[26,27,28-trihydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate | C32H30O6

Ethyl {[26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate

  • Molecular FormulaC32H30O6
  • Average mass510.577 Da
  • Monoisotopic mass510.204254 Da
  • ChemSpider ID30652950

More details:

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

{[26,27,28-Trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaén-25-yl]oxy}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-yl]oxy]-, ethyl ester [ACD/Index Name]
Ethyl {[26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate [ACD/IUPAC Name]
Ethyl-{[26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 216.9±25.0 °C
Index of Refraction: 1.635
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11008.97
ACD/KOC (pH 5.5): 27205.70
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10931.45
ACD/KOC (pH 7.4): 27014.13
Polar Surface Area: 96 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

Click to predict properties on the Chemicalize site


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