Found 1 result

Search term: COC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (11beta,17beta)-11-(Methoxymethyl)estra-1(10),2,4-triene-3,17-diol | C20H28O3

(11β,17β)-11-(Methoxymethyl)estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID21169213

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11β,17β)-11-(Methoxymethyl)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(11β,17β)-11-(Methoxymethyl)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(11β,17β)-11-(Méthoxyméthyl)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
(9β,11α,13α,14β,17α)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Estra-1(10),2,4-triene-3,17-diol, 11-(methoxymethyl)-, (11β,17β)- [ACD/Index Name]
(11S,13S,17S)-11-(methoxymethyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
(1R,10S,11S,14S,15S,17S)-17-(methoxymethyl)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol
EED

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

nchembio.76-comp39 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 473.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 201.55
ACD/KOC (pH 5.5): 1552.68
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 201.27
ACD/KOC (pH 7.4): 1550.51
Polar Surface Area: 50 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 276.6±3.0 cm3

Click to predict properties on the Chemicalize site


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