ChemSpider 2D Image | (14xi,17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl 5-{bis[(~13~C)methyl]amino}-1-naphthalenesulfonate | C2813C2H35NO4S

(14ξ,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl 5-{bis[(13C)methyl]amino}-1-naphthalenesulfonate

  • Molecular FormulaC2813C2H35NO4S
  • Average mass507.654 Da
  • Monoisotopic mass507.235382 Da
  • ChemSpider ID52082900
  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(14ξ,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl 5-{bis[(13C)methyl]amino}-1-naphthalenesulfonate [ACD/IUPAC Name]
(14ξ,17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-5-{bis[(13C)methyl]amino}-1-naphthalinsulfonat [German] [ACD/IUPAC Name]
1-Naphthalenesulfonic acid, 5-(dimethyl-13C-amino)-, (14ξ,17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]
5-{Bis[(13C)méthyl]amino}-1-naphtalènesulfonate de (14ξ,17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
3-Dansyl-13C2 estradiol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 400.0±3.0 cm3

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