ChemSpider 2D Image | (3E,5E,7E,10S,11Z,13E,15E,17E,20R)-10-Hydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one | C29H39NO2

(3E,5E,7E,10S,11Z,13E,15E,17E,20R)-10-Hydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

  • Molecular FormulaC29H39NO2
  • Average mass433.625 Da
  • Monoisotopic mass433.298065 Da
  • ChemSpider ID32674680

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3E,5E,7E,10S,11Z,13E,15E,17E,20R)-10-Hydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7E,10S,11Z,13E,15E,17E,20R)-10-Hydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one [ACD/IUPAC Name]
(3E,5E,7E,10S,11Z,13E,15E,17E,20R)-10-Hydroxy-7,15-diméthyl-20-[(2E,4E)-2,4-octadién-1-yl]azacycloicosa-3,5,7,11,13,15,17-heptaén-2-one [French] [ACD/IUPAC Name]
Azacycloeicosa-3,5,7,11,13,15,17-heptaen-2-one, 10-hydroxy-7,15-dimethyl-20-[(2E,4E)-2,4-octadien-1-yl]-, (3E,5E,7E,10S,11Z,13E,15E,17E,20R)- [ACD/Index Name]
8-deoxyheronamide C

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

Density: 0.9±0.1 g/cm3
Boiling Point: 647.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 345.1±31.5 °C
Index of Refraction: 1.509
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25117.82
ACD/KOC (pH 5.5): 49101.24
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25117.79
ACD/KOC (pH 7.4): 49101.19
Polar Surface Area: 49 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 457.2±3.0 cm3

Click to predict properties on the Chemicalize site


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