ChemSpider 2D Image | (17beta)-2-Ethoxy-3-hydroxyestra-1(10),2,4-trien-17-yl 2,4-dichloro-5-sulfamoylbenzoate | C27H31Cl2NO6S

(17β)-2-Ethoxy-3-hydroxyestra-1(10),2,4-trien-17-yl 2,4-dichloro-5-sulfamoylbenzoate

  • Molecular FormulaC27H31Cl2NO6S
  • Average mass568.509 Da
  • Monoisotopic mass567.124939 Da
  • ChemSpider ID9679888

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-2-Ethoxy-3-hydroxyestra-1(10),2,4-trien-17-yl 2,4-dichloro-5-sulfamoylbenzoate [ACD/IUPAC Name]
(17β)-2-Ethoxy-3-hydroxyestra-1(10),2,4-trien-17-yl-2,4-dichlor-5-sulfamoylbenzoat [German] [ACD/IUPAC Name]
2,4-Dichloro-5-sulfamoylbenzoate de (17β)-2-éthoxy-3-hydroxyestra-1(10),2,4-trién-17-yle [French] [ACD/IUPAC Name]
Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-, (17β)-2-ethoxy-3-hydroxyestra-1(10),2,4-trien-17-yl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 717.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 387.7±35.7 °C
Index of Refraction: 1.649
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12322.46
ACD/KOC (pH 5.5): 29490.25
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12082.14
ACD/KOC (pH 7.4): 28915.11
Polar Surface Area: 124 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 389.3±5.0 cm3

Click to predict properties on the Chemicalize site


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