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ChemSpider 2D Image | (1Z,3E,13Z)-22-[(2E)-2-Hexen-1-yl]-17-methylazacyclodocosa-1,3,5,7,13,15,17,19-octaene-2,9,10,12-tetrol | C28H39NO4


  • Molecular FormulaC28H39NO4
  • Average mass453.614 Da
  • Monoisotopic mass453.287903 Da
  • ChemSpider ID34981412
  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z,3E,13Z)-22-[(2E)-2-Hexen-1-yl]-17-methylazacyclodocosa-1,3,5,7,13,15,17,19-octaen-2,9,10,12-tetrol [German] [ACD/IUPAC Name]
(1Z,3E,13Z)-22-[(2E)-2-Hexen-1-yl]-17-methylazacyclodocosa-1,3,5,7,13,15,17,19-octaene-2,9,10,12-tetrol [ACD/IUPAC Name]
(1Z,3E,13Z)-22-[(2E)-2-Hexén-1-yl]-17-méthylazacyclodocosa-1,3,5,7,13,15,17,19-octaène-2,9,10,12-tétrol [French] [ACD/IUPAC Name]
Azacyclodocosa-1,3,5,7,13,15,17,19-octaene-2,9,10,12-tetrol, 22-[(2E)-2-hexen-1-yl]-17-methyl-, (1Z,3E,13Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 659.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 455.7±23.5 °C
Index of Refraction: 1.517
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 75.68
ACD/KOC (pH 5.5): 442.85
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 75.72
ACD/KOC (pH 7.4): 443.10
Polar Surface Area: 93 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 446.5±7.0 cm3

Click to predict properties on the Chemicalize site