ChemSpider 2D Image | (17beta)-3-Hydroxyestra-1(10),2,4-trien-17-yl 10-undecenoate | C29H42O3

(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl 10-undecenoate

  • Molecular FormulaC29H42O3
  • Average mass438.642 Da
  • Monoisotopic mass438.313385 Da
  • ChemSpider ID21165111

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl 10-undecenoate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl-10-undecenoat [German] [ACD/IUPAC Name]
10-Undécénoate de (17β)-3-hydroxyestra-1(10),2,4-trién-17-yle [French] [ACD/IUPAC Name]
10-Undecenoic acid, (17β)-3-hydroxyestra-1(10),2,4-trien-17-yl ester [ACD/Index Name]
288-253-5 [EINECS]
85702-61-0 [RN]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(10-undecenoate)
estra-1,3,5(10)-triene-3,17β-diol 17-(10-undecenoate)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 210.4±22.9 °C
Index of Refraction: 1.554
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 836742.25
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 835571.69
Polar Surface Area: 47 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 406.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement