ChemSpider 2D Image | KG6814500 | C18H22D2O2

KG6814500

  • Molecular FormulaC18H22D2O2
  • Average mass274.394 Da
  • Monoisotopic mass274.190186 Da
  • ChemSpider ID17346654

  • 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)-(2,4-2H2)Estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(17β)-(2,4-2H2)Estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(17β)-(2,4-2H2)Estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
1,3,5(10)-Estratriene-2,4-d2-3,17β-diol
17β-Estradiol-d2
53866-33-4 [RN]
Estra-1,3,5(10)-triene-2,4-d2-3,17-diol, (17β)- [ACD/Index Name]
KG6814500
MFCD00079179
β-Estradiol-d2
More...

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

E4260_SIGMA [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: 445.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 209.6±23.3 °C
Index of Refraction: 1.599
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 329.70
ACD/KOC (pH 5.5): 2208.39
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 329.27
ACD/KOC (pH 7.4): 2205.52
Polar Surface Area: 40 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 232.6±3.0 cm3

Click to predict properties on the Chemicalize site


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