ChemSpider 2D Image | (13xi,17beta)-17-[(4-Hydroxybutyl)amino]estra-1(10),2,4-trien-3-ol | C22H33NO2

(13ξ,17β)-17-[(4-Hydroxybutyl)amino]estra-1(10),2,4-trien-3-ol

  • Molecular FormulaC22H33NO2
  • Average mass343.503 Da
  • Monoisotopic mass343.251129 Da
  • ChemSpider ID58816094

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(13ξ,17β)-17-[(4-Hydroxybutyl)amino]estra-1(10),2,4-trien-3-ol [German] [ACD/IUPAC Name]
(13ξ,17β)-17-[(4-Hydroxybutyl)amino]estra-1(10),2,4-trien-3-ol [ACD/IUPAC Name]
(13ξ,17β)-17-[(4-Hydroxybutyl)amino]estra-1(10),2,4-trién-3-ol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-3-ol, 17-[(4-hydroxybutyl)amino]-, (13ξ,17β)- [ACD/Index Name]
150748-23-5 [RN]
Butolame

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 120.5±20.7 °C
Index of Refraction: 1.591
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.41
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.38
Polar Surface Area: 52 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 299.7±5.0 cm3

Click to predict properties on the Chemicalize site


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