ChemSpider 2D Image | (17beta)-2-Methoxy(13,14,15,16,17,18-~13~C_6_)estra-1(10),2,4-triene-3,17-diol | C1313C6H26O3


  • Molecular FormulaC1313C6H26O3
  • Average mass308.364 Da
  • Monoisotopic mass308.208313 Da
  • ChemSpider ID115009186
  • 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-Methoxy(13,14,15,16,17,18-13C6)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(17β)-2-Methoxy(13,14,15,16,17,18-13C6)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(17β)-2-Méthoxy(13,14,15,16,17,18-13C6)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol-13,14,15,16,17,18-13C6, 2-methoxy-, (17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 86.2±0.3 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: 34.2±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

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