ChemSpider 2D Image | Estradiol-Pyridinium Tetraacetic Acid | C35H41N3O10

Estradiol-Pyridinium Tetraacetic Acid

  • Molecular FormulaC35H41N3O10
  • Average mass663.714 Da
  • Monoisotopic mass663.279175 Da
  • ChemSpider ID9789210

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,2',2'',2'''-[{4-[(17α)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-in-21-yl]-2,6-pyridindiyl}bis(methylennitrilo)]tetraessigsäure [German] [ACD/IUPAC Name]
2,2',2'',2'''-[{4-[(17α)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-yn-21-yl]-2,6-pyridinediyl}bis(methylenenitrilo)]tetraacetic acid [ACD/IUPAC Name]
Acide 2,2',2'',2'''-[{4-[(17α)-3,17-dihydroxy-19-norprégna-1,3,5(10)-trién-20-yn-21-yl]-2,6-pyridinediyl}bis(méthylènenitrilo)]tetraacétique [French] [ACD/IUPAC Name]
Estradiol-Pyridinium Tetraacetic Acid
EEU

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

Density: 1.5±0.1 g/cm3
Boiling Point: 926.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 513.9±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 169.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.74
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 93.8±5.0 dyne/cm
Molar Volume: 442.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement