ChemSpider 2D Image | (17alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-2,17-diol | C21H26O3

(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-2,17-diol

  • Molecular FormulaC21H26O3
  • Average mass326.429 Da
  • Monoisotopic mass326.188202 Da
  • ChemSpider ID23976417

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-in-2,17-diol [German] [ACD/IUPAC Name]
(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-2,17-diol [ACD/IUPAC Name]
(17α)-3-Méthoxy-19-norprégna-1,3,5(10)-trién-20-yne-2,17-diol [French] [ACD/IUPAC Name]
26011-40-5 [RN]
Estra-1,3,5(10)-triene-2,17-diol, 17-ethynyl-3-methoxy-, (17β)- [ACD/Index Name]
(1R,3aS,3bR,9bS,11aS)-1-ethynyl-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,8-diol
(1R,3aS,3bR,9bS,11aS)-1-ethynyl-7-methoxy-11a-methyl-2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthrene-1,8-diol
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol
(8S,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol
2-Hydroxy Mestranol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.7±28.7 °C
Index of Refraction: 1.612
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.75
ACD/KOC (pH 5.5): 2256.33
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.32
ACD/KOC (pH 7.4): 2253.47
Polar Surface Area: 50 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 266.3±5.0 cm3

Click to predict properties on the Chemicalize site


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