ChemSpider 2D Image | (17beta)-(17-~2~H)Estra-1(10),2,4-triene-2,3,17-triol | C18H23DO3

(17β)-(17-2H)Estra-1(10),2,4-triene-2,3,17-triol

  • Molecular FormulaC18H23DO3
  • Average mass289.388 Da
  • Monoisotopic mass289.178833 Da
  • ChemSpider ID57268827

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-(17-2H)Estra-1(10),2,4-trien-2,3,17-triol [German] [ACD/IUPAC Name]
(17β)-(17-2H)Estra-1(10),2,4-triene-2,3,17-triol [ACD/IUPAC Name]
(17β)-(17-2H)Estra-1(10),2,4-triène-2,3,17-triol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-17-d-2,3,17-triol, (17β)- [ACD/Index Name]
221093-33-0 [RN]
2-Hydroxy-17β-estradiol-16,16,17-d5
2-Hydroxy-17ß-estradiol-1,4,16,16,17-d5
2-Hydroxy-17β-estradiol-1,4,16,16,17-d5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 227.6±23.3 °C
Index of Refraction: 1.622
Molar Refractivity: 81.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.72
ACD/KOC (pH 5.5): 1132.62
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.25
ACD/KOC (pH 7.4): 1128.58
Polar Surface Area: 61 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 231.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement