ChemSpider 2D Image | (17beta)-2-[(~13~C,~2~H_3_)Methyloxy]estra-1,3,5(10)-triene-3,17-diol | C1813CH23D3O3


  • Molecular FormulaC1813CH23D3O3
  • Average mass306.419 Da
  • Monoisotopic mass306.210388 Da
  • ChemSpider ID28638012
  • 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-[(13C,2H3)Methyloxy]estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(17β)-2-[(13C,2H3)Methyloxy]estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(17β)-2-[(13C,2H3)Méthyloxy]estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
1217470-09-1 [RN]
Estra-1,3,5(10)-triene-3,17-diol, 2-(methyl-13C-d3-oxy)-, (17β)- [ACD/Index Name]
1228077-85-7 [RN]

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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