ChemSpider 2D Image | cyclonataminol | C28H48N2O2

cyclonataminol

  • Molecular FormulaC28H48N2O2
  • Average mass444.693 Da
  • Monoisotopic mass444.371582 Da
  • ChemSpider ID26390840

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β,5α,9β,16α,20S)-3,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-6-en-2,16-diol [German] [ACD/IUPAC Name]
(2α,3β,5α,9β,16α,20S)-3,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-6-ene-2,16-diol [ACD/IUPAC Name]
(2α,3β,5α,9β,16α,20S)-3,20-Bis(diméthylamino)-4,4,14-triméthyl-9,19-cycloprégn-6-ène-2,16-diol [French] [ACD/IUPAC Name]
9,19-Cyclopregn-6-ene-2,16-diol, 3,20-bis(dimethylamino)-4,4,14-trimethyl-, (2α,3β,5α,9β,16α,20S)- [ACD/Index Name]
cyclonataminol
1254950-51-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 532.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.9±6.0 kJ/mol
Flash Point: 231.1±28.8 °C
Index of Refraction: 1.575
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 400.0±5.0 cm3

Click to predict properties on the Chemicalize site


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