ChemSpider 2D Image | ircinialactam C | C23H35NO5

ircinialactam C

  • Molecular FormulaC23H35NO5
  • Average mass405.528 Da
  • Monoisotopic mass405.251526 Da
  • ChemSpider ID24668366

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,7E,11E)-14-[1-(Carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-3,7,11-trimethyl-7,11-tetradecadienoic acid [ACD/IUPAC Name]
(3S,7E,11E)-14-[1-(Carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-3,7,11-trimethyl-7,11-tetradecadiensäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-acetic acid, 3-[(3E,7E,12S)-13-carboxy-4,8,12-trimethyl-3,7-tridecadien-1-yl]-2,5-dihydro-2-oxo- [ACD/Index Name]
Acide (3S,7E,11E)-14-[1-(carboxyméthyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-3,7,11-triméthyl-7,11-tétradécadiénoïque [French] [ACD/IUPAC Name]
ircinialactam C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 5.72
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

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