ChemSpider 2D Image | 4-[(Z)-(3',6'-Dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-ylidene)amino]estra-1,3,5(10)-triene-3,17-diol | C39H34N2O6S

4-[(Z)-(3',6'-Dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-ylidene)amino]estra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC39H34N2O6S
  • Average mass658.762 Da
  • Monoisotopic mass658.213745 Da
  • ChemSpider ID152034
  • Double-bond stereo - Double-bond stereo


More details:






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

4-[(Z)-(3',6'-Dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-yliden)amino]estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
4-[(Z)-(3',6'-Dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-ylidene)amino]estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
4-[(Z)-(3',6'-Dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-ylidène)amino]estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 4-[[(3Z)-3',6'-dihydroxy-5-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-ylidene]amino]- [ACD/Index Name]
17β-Estradiol, 4-amino-N-fluorescein isothiocyanate-
4-Amino-N-fluorescein isothiocyanate-17-estradiol
4-Nhef
82420-81-3 [RN]
Estradiol-4A-FITC
Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3',6'-diol, 3-(((17β)-3,17-dihydroxyestra-1,3,5(10)-trien-4-yl)imino)-5(or6)-isothiocyanato-

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.771
Molar Refractivity: 179.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 356347.88
ACD/KOC (pH 5.5): 327614.22
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 308593.69
ACD/KOC (pH 7.4): 283710.63
Polar Surface Area: 156 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 432.4±7.0 cm3

Click to predict properties on the Chemicalize site






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