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

(3E,5E,7Z,13Z,15E,17E,19E)-22-[(2E)-2-Hexen-1-yl]-9,10,12-trihydroxy-17-methylazacyclodocosa-3,5,7,13,15,17,19-heptaen-2-one

  • Molecular FormulaC28H39NO4
  • Average mass453.614 Da
  • Monoisotopic mass453.287903 Da
  • ChemSpider ID58130980

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5E,7Z,13Z,15E,17E,19E)-22-[(2E)-2-Hexen-1-yl]-9,10,12-trihydroxy-17-methylazacyclodocosa-3,5,7,13,15,17,19-heptaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7Z,13Z,15E,17E,19E)-22-[(2E)-2-Hexen-1-yl]-9,10,12-trihydroxy-17-methylazacyclodocosa-3,5,7,13,15,17,19-heptaen-2-one [ACD/IUPAC Name]
(3E,5E,7Z,13Z,15E,17E,19E)-22-[(2E)-2-Hexén-1-yl]-9,10,12-trihydroxy-17-méthylazacyclodocosa-3,5,7,13,15,17,19-heptaén-2-one [French] [ACD/IUPAC Name]
Azacyclodocosa-3,5,7,13,15,17,19-heptaen-2-one, 22-[(2E)-2-hexen-1-yl]-9,10,12-trihydroxy-17-methyl-, (3E,5E,7Z,13Z,15E,17E,19E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 385.87
ACD/KOC (pH 5.5): 2471.58
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 385.86
ACD/KOC (pH 7.4): 2471.58
Polar Surface Area: 90 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

Click to predict properties on the Chemicalize site


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