ChemSpider 2D Image | (2E)-N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-[(17E)-3-hydroxyestra-1,3,5(10)-trien-17-ylidene]hydrazinecarbothioamide | C39H35N3O6S

(2E)-N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-[(17E)-3-hydroxyestra-1,3,5(10)-trien-17-ylidene]hydrazinecarbothioamide

  • Molecular FormulaC39H35N3O6S
  • Average mass673.777 Da
  • Monoisotopic mass673.224670 Da
  • ChemSpider ID7851277
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2E)-N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-[(17E)-3-hydroxyestra-1,3,5(10)-trien-17-yliden]hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2E)-N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-[(17E)-3-hydroxyestra-1,3,5(10)-trien-17-ylidene]hydrazinecarbothioamide [ACD/IUPAC Name]
(2E)-N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-[(17E)-3-hydroxyestra-1,3,5(10)-trién-17-ylidène]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-2-[(17E)-3-hydroxyestra-1,3,5(10)-trien-17-ylidene]-, (2E)- [ACD/Index Name]
17-Fluorescein estrone
76841-57-1 [RN]
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)hydrazone
Estrone-17-fluorescein

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: 1.777
Molar Refractivity: 182.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56746.38
ACD/KOC (pH 5.5): 87984.86
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56183.71
ACD/KOC (pH 7.4): 87112.44
Polar Surface Area: 165 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 437.0±7.0 cm3

Click to predict properties on the Chemicalize site






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