ChemSpider 2D Image | (2R,3S,6E,10S)-11-Methoxy-3,7,11-trimethyl-1-(5-nitro-1H-pyrrol-3-yl)-6-dodecene-2,3,10-triol | C20H34N2O6

(2R,3S,6E,10S)-11-Methoxy-3,7,11-trimethyl-1-(5-nitro-1H-pyrrol-3-yl)-6-dodecene-2,3,10-triol

  • Molecular FormulaC20H34N2O6
  • Average mass398.494 Da
  • Monoisotopic mass398.241699 Da
  • ChemSpider ID40256499

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,6E,10S)-11-Methoxy-3,7,11-trimethyl-1-(5-nitro-1H-pyrrol-3-yl)-6-dodecen-2,3,10-triol [German] [ACD/IUPAC Name]
(2R,3S,6E,10S)-11-Methoxy-3,7,11-trimethyl-1-(5-nitro-1H-pyrrol-3-yl)-6-dodecene-2,3,10-triol [ACD/IUPAC Name]
(2R,3S,6E,10S)-11-Méthoxy-3,7,11-triméthyl-1-(5-nitro-1H-pyrrol-3-yl)-6-dodécène-2,3,10-triol [French] [ACD/IUPAC Name]
6-Dodecene-2,3,10-triol, 11-methoxy-3,7,11-trimethyl-1-(5-nitro-1H-pyrrol-3-yl)-, (2R,3S,6E,10S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 313.9±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.12
ACD/KOC (pH 5.5): 523.39
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.12
ACD/KOC (pH 7.4): 523.40
Polar Surface Area: 132 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 336.7±3.0 cm3

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