ChemSpider 2D Image | ESTRADIOL 17-P-PROPOXYPHENYL PROPIONATE | C30H38O4

ESTRADIOL 17-P-PROPOXYPHENYL PROPIONATE

  • Molecular FormulaC30H38O4
  • Average mass462.620 Da
  • Monoisotopic mass462.277008 Da
  • ChemSpider ID34995669

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-(4-propoxyphenyl)propanoate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl-3-(4-propoxyphenyl)propanoat [German] [ACD/IUPAC Name]
3-(4-Propoxyphényl)propanoate de (17β)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
7724-88-1 [RN]
Benzenepropanoic acid, 4-propoxy-, (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(4-propoxybenzenepropanoate)
ESTRADIOL 17-P-PROPOXYPHENYL PROPIONATE

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

288OER048N [DBID]
UNII:288OER048N [DBID]
UNII-288OER048N [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 194.4±25.0 °C
Index of Refraction: 1.594
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 103902.70
ACD/KOC (pH 5.5): 135668.11
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 103757.23
ACD/KOC (pH 7.4): 135478.17
Polar Surface Area: 56 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

Click to predict properties on the Chemicalize site


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