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Search term: CVDIODPFTABCIW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (8xi,9xi,14xi,17xi,20R)-20-(1-Methyl-2-piperidinyl)pregnane-3,20-diol | C27H47NO2

(8ξ,9ξ,14ξ,17ξ,20R)-20-(1-Methyl-2-piperidinyl)pregnane-3,20-diol

  • Molecular FormulaC27H47NO2
  • Average mass417.668 Da
  • Monoisotopic mass417.360687 Da
  • ChemSpider ID30650442

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,17ξ,20R)-20-(1-Methyl-2-piperidinyl)pregnan-3,20-diol [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17ξ,20R)-20-(1-Methyl-2-piperidinyl)pregnane-3,20-diol [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17ξ,20R)-20-(1-Méthyl-2-pipéridinyl)prégnane-3,20-diol [French] [ACD/IUPAC Name]
Pregnane-3,20-diol, 20-(1-methyl-2-piperidinyl)-, (8ξ,9ξ,14ξ,17ξ,20R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 232.1±19.0 °C
Index of Refraction: 1.541
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 11.46
ACD/KOC (pH 5.5): 26.67
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 62.64
ACD/KOC (pH 7.4): 145.76
Polar Surface Area: 44 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 391.9±3.0 cm3

Click to predict properties on the Chemicalize site


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