ChemSpider 2D Image | (2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaenoic acid | C32H46O6

(2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaenoic acid

  • Molecular FormulaC32H46O6
  • Average mass526.704 Da
  • Monoisotopic mass526.329468 Da
  • ChemSpider ID4948072

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadecapentaensäure [German] [ACD/IUPAC Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-, (2E,10E,12E,16E,18E)- [ACD/Index Name]
Acide (2E,10E,12E,16E,18E)-17-éthyl-6-hydroxy-3,5,7,9,11,15-hexaméthyl-8-oxo-19-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2,10,12,16,18-nonadécapentaénoïque [French] [ACD/IUPAC Name]
(2E,10E,12E,16E,18E)-17-ETHYL-6-HYDROXY-3,5,7,9,11,15-HEXAMETHYL-8-OXO-19-(6-OXO-2,3-DIHYDROPYRAN-2-YL)NONADECA-2,10,12,16,18-PENTAENOIC ACID
111278-00-3 [RN]
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-
Anguinomycin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 722.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 226.1±26.4 °C
Index of Refraction: 1.549
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1447.72
ACD/KOC (pH 5.5): 4395.85
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 25.83
ACD/KOC (pH 7.4): 78.42
Polar Surface Area: 101 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 484.3±3.0 cm3

Click to predict properties on the Chemicalize site


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