ChemSpider 2D Image | (7alpha)-21-[2-(Diethylamino)ethoxy]-7-methyl-19-norpregna-1(10),2,4-trien-3-yl sulfamate | C27H44N2O4S

(7α)-21-[2-(Diethylamino)ethoxy]-7-methyl-19-norpregna-1(10),2,4-trien-3-yl sulfamate

  • Molecular FormulaC27H44N2O4S
  • Average mass492.714 Da
  • Monoisotopic mass492.302185 Da
  • ChemSpider ID32764291
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(7α)-21-[2-(Diethylamino)ethoxy]-7-methyl-19-norpregna-1(10),2,4-trien-3-yl sulfamate [ACD/IUPAC Name]
(7α)-21-[2-(Diethylamino)ethoxy]-7-methyl-19-norpregna-1(10),2,4-trien-3-ylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de (7α)-21-[2-(diéthylamino)éthoxy]-7-méthyl-19-norprégna-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Sulfamic acid, (7α,17β)-17-[2-[2-(diethylamino)ethoxy]ethyl]-7-methylestra-1(10),2,4-trien-3-yl ester [ACD/Index Name]
19-Norpregna-1,3,5(10)-trien-3-ol, 21-[2-(diethylamino)ethoxy]-7-methyl-, 3-sulfamate, (7α)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.6±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 6.86
ACD/KOC (pH 5.5): 18.51
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 39.74
ACD/KOC (pH 7.4): 107.19
Polar Surface Area: 90 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 439.6±3.0 cm3

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