ChemSpider 2D Image | (9beta,13alpha)-17-Oxoestra-1,3,5(10)-trien-3-yl sulfamate | C18H23NO4S

(9β,13α)-17-Oxoestra-1,3,5(10)-trien-3-yl sulfamate

  • Molecular FormulaC18H23NO4S
  • Average mass349.444 Da
  • Monoisotopic mass349.134766 Da
  • ChemSpider ID62355579

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(9β,13α)-17-Oxoestra-1,3,5(10)-trien-3-yl sulfamate [ACD/IUPAC Name]
(9β,13α)-17-Oxoestra-1,3,5(10)-trien-3-ylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de (9β,13α)-17-oxoestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Sulfamic acid, (9β,13α)-17-oxoestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.04
ACD/KOC (pH 5.5): 613.13
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.24
ACD/KOC (pH 7.4): 593.04
Polar Surface Area: 95 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 265.9±3.0 cm3

Click to predict properties on the Chemicalize site


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